SCHEMBL840064

SCHEMBL840064

[CH2]CCc1ccccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.64
CHRM2 P08172 2/20 0.57
CHRM1 P11229 2/20 0.57
SIGMAR1 Q99720 1/20 0.56
AOC3 Q16853 1/20 0.56
KCNH2 Q12809 1/20 0.55
IDO1 P14902 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
ABCB1 P08183 2/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CA5A P35218 1/20 0.50

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
SCHEMBL399492 0.88 TAAR1 (0.60) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL28858018 0.86 TAAR1 (0.75) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL8691149 0.86 TAAR1 (0.58) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL9627530 0.84 TAAR1 (0.56) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL132798 0.82 IDO1 (0.57) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL7831226 0.82 TAAR1 (0.69) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL7746434 0.82 CA12 (0.54) TAAR1ABCB1CA12CA1CA2
SCHEMBL29467401 0.80 TAAR1 (0.67) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL158584 0.80 TAAR1 (0.67) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL2095881 0.80 ABCB1 (0.50) TAAR1KCNH2ABCB1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP claimed
EP-0952157-B1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin PFIZER PROD INC (US) 2003-06-18 EP claimed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US claimed
US-6482801-B2 THERAPY FOR BACTERIAL OR PROTOZOA INFECTIONS PFIZER INC. 2002-11-19 US claimed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US claimed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US claimed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP claimed
US-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin WU YONG-JIN (US) 2001-08-23 US claimed
US-6248719-B1 Tricyclic 3-keto derivatives of 6-O-methylerthromycin PFIZER INC 2001-06-19 US claimed
CN-1297442-A 5-aminoindeno [1,2-c] pyrazol-4-ones as anti-cancer and anti-proliferative agents DU PONT PHARM CO (US) 2001-05-30 CN claimed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO claimed
WO-1999062920-A1 TRICYCLIC 3-KETO DERIVATIVES OF 6-O-METHYLERYTHROMYCIN PFIZER PRODUCTS INC. (US) 1999-12-09 WO claimed
EP-0952157-A1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin Pfizer Products Inc. (US) 1999-10-27 EP claimed
US-5872262-A COMPOUNDS AS INHIBITORS OF PLASMEPSIN AND CATHEPSIN PHARMACOPEIA, INC. (US) 1999-02-16 US claimed
US-5734054-A Hydroxy-amino acid amides PHARMACOPEIA, INC. (US) 1998-03-31 US claimed
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP claimed
CN-109476985-A METHOD FOR COATING PROPPANTS 瓦克化学股份公司 2019-03-15 CN disclosed
EP-3444304-A1 POLYFUNCTIONAL POLYMERIZABLE COMPOUND AND COLORED COMPOSITION FUJIFILM Wako Pure Chemical Corporation (JP) 2019-02-20 EP disclosed
EP-0015523-A1 Indole derivatives, their preparation and their use for medicaments Dr. Karl Thomae GmbH (DE) 1980-09-17 EP disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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 (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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 TAAR1 75/4885CHRM2 146/4885CHRM1 78/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 TAAR1 75/4885CHRM2 146/4885CHRM1 78/4885
US-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin CYP7A1, HSD17B7, CYP51A1 TAAR1 3965/4885CHRM2 3652/4885CHRM1 2999/4885

“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.