SCHEMBL4797230

SCHEMBL4797230

CC(C)c1cc(Br)cc2c(CCO)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ HTR2C P28335 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ MTNR1A P48039 5/20 0.34
▸ MTNR1B P49286 5/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR1D P28221 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL4807542 0.79 MTNR1A (0.40) HTR2CCYP2D6NPC1MTNR1AMTNR1B
SCHEMBL4808998 0.76 HTR2A (0.45) GABRA1HTR2CHTR2ASLC6A4
SCHEMBL31022882 0.73 GABRA1 (0.42) GABRA1GABRB1
SCHEMBL31023069 0.71 GABRA1 (0.40) GABRA1GABRB1
SCHEMBL30993004 0.69 CREBBP (0.45) GABRA1GABRB1
SCHEMBL31023051 0.68 GABRA1 (0.37) GABRA1GABRB1
SCHEMBL19708400 0.67 GABRA1 (0.41) GABRA1GABRB1
SCHEMBL4805445 0.67 GABRA1 (0.41) GABRA1GABRB1
SCHEMBL29444443 0.67 HTR2A (0.71) HTR2CCYP2D6MTNR1AMTNR1BHTR2A
SCHEMBL733712 0.67 HTR2A (0.71) HTR2CCYP2D6MTNR1AMTNR1BHTR2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446122-B2 Substituted indole derivatives CEPHALON, INC. (US) 2008-11-04 — — US disclosed
US-7446122-B2 Substituted indole derivatives CEPHALON, INC. (US) 2008-11-04 — — US disclosed
US-7314886-B2 Tetrahydropyrano-indole derivatives CEPHALON, INC. (US) 2008-01-01 — — US disclosed
US-7314886-B2 Tetrahydropyrano-indole derivatives CEPHALON, INC. (US) 2008-01-01 — — US disclosed
US-20070244180-A1 Substituted indole derivatives SALMEDIX, INC. 2007-10-18 — — US disclosed
US-20070244180-A1 Substituted indole derivatives SALMEDIX, INC. 2007-10-18 — — US disclosed
US-20060166947-A1 Multiple myeloma treatments DANA-FARBER CANCER INSTITUTE, INC. 2006-07-27 — — US disclosed
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic SALMEDIX, INC. 2006-07-20 — — US disclosed
EP-1680428-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2006-07-19 — — EP disclosed
EP-1673373-A2 INDOLE DERIVATIVES Salmedix, Inc. (US) 2006-06-28 — — EP disclosed
EP-1370548-B1 P-THIENYLBENZYL-AMIDES SERVING AS AGONISTS OF ANGIOTENSIN-(1-7)-RECEPTORS, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2006-02-01 — — EP disclosed
WO-2005033112-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2005-04-14 — — WO disclosed
WO-2005033113-A2 INDOLE DERIVATIVES CEPHALON, INC (US) 2005-04-14 — — WO 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 (3 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-20070244180-A1 Substituted indole derivatives IDO1, IDO2, HTR3A GABRA1 1938/4885GABRB1 1661/4885HTR2C 13/4885
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic IL6, OPRK1, PTGES3 GABRA1 655/4885GABRB1 569/4885HTR2C 408/4885
US-20060166947-A1 Multiple myeloma treatments BCL6, MCL1, BCL6B GABRA1 3454/4885GABRB1 3134/4885HTR2C 2802/4885

“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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