SCHEMBL3737586

SCHEMBL3737586

CC(C)(CO)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 13/20 0.82
▸ CYP3A4 P08684 2/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ CYP2B6 P20813 2/20 0.71
▸ HRH1 P35367 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11826925 0.90 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Terfenadone SCHEMBL11364486 0.90 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11830435 0.89 CYP2J2 (0.98) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Terfenadone SCHEMBL11801242 0.89 CYP2J2 (0.98) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL1395734 0.88 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL2763954 0.88 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11798280 0.88 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL18765452 0.88 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL7616267 0.88 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL3681404 0.88 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US claimed
EP-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 — — EP disclosed
EP-1953142-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives Aventis Inc. (US) 2008-08-06 — — EP disclosed
US-6777555-B2 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE MERRELL PHARMACEUTICALS, INC. 2004-08-17 — — US disclosed
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS, INC. 2003-11-27 — — US disclosed
US-6559312-B2 Cyclopropyl phenyl ketone compound MERRELL PHARMACEUTICALS INC. 2003-05-06 — — US disclosed
US-6555689-B2 Antiallergy agents and bronchodilators MERRELL PHARMACEUTICALS INC. 2003-04-29 — — US disclosed
US-6552200-B2 Antiallergens MERRELL PHARMACEUTICALS INC. 2003-04-22 — — US disclosed
US-6548675-B2 1-Cyclopropylcarbonyl-2-hydroxy(optional),4-isopropylbenzene used as starting materials for 1-((2-hydroxy(optional),4-alkylphenyl)carbonylalkyl-),4-(diphenylmethyl -)piperidine derivatives; antihistamines; antiallergens; bronchodilators MERRELL PHARMACEUTICALS INC. 2003-04-15 — — US disclosed
US-20020198407-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-12-26 — — US disclosed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 — — US disclosed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 — — US disclosed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 — — US disclosed
US-6242606-B1 REACTING A A,A-DIMETHYLPHENYLACETIC ACID AMIDE WITH A W-HALO COMPOUND PRODUCES W'-HALO-A-KETO-A,A-DIMETHYLPHENYLACETIC ACID AMIDE AND REACTING IT WITH A PIPERIDINE COMPOUND; 2-(4-(4-CHLORO-BUTYRYL)-PHENYL)-2-METHY-PROPIONIC ACID MERRELL PHARMACEUTICALS INC. 2001-06-05 — — US disclosed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 — — US disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 — — US disclosed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 — — EP disclosed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 — — WO disclosed
US-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP2J2 490/4885CYP3A4 366/4885CYP2C9 690/4885
US-20020198407-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP2J2 334/4885CYP3A4 299/4885CYP2C9 670/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP2J2 452/4885CYP3A4 541/4885CYP2C9 738/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP2J2 490/4885CYP3A4 366/4885CYP2C9 690/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP2J2 335/4885CYP3A4 308/4885CYP2C9 677/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP2J2 376/4885CYP3A4 304/4885CYP2C9 642/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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