SCHEMBL4985772

SCHEMBL4985772

CN1CCN(c2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 12/20 0.50
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.44
HTR1B P28222 1/20 0.43
CYP1B1 Q16678 2/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CDK2 P24941 1/20 0.38

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
Hydrochloric Acid SCHEMBL4985854 0.99 GPR35 (0.49) GPR35ALDH1A1ATMHTR1BCYP1B1
SCHEMBL4996207 0.86 ATM (0.45) GPR35ALDH1A1ATMHTR1BCDK2
SCHEMBL4990839 0.86 ATM (0.57) GPR35ATMHTR1BCDK2
Hydrochloric Acid SCHEMBL4985151 0.85 ATM (0.56) GPR35ATMHTR1BCDK2
SCHEMBL4988326 0.85 HTR1B (0.57) GPR35ALDH1A1ATMHTR1BCDK2
Hydrochloric Acid SCHEMBL4988384 0.84 HTR1B (0.56) GPR35ALDH1A1ATMHTR1BCDK2
SCHEMBL4985616 0.84 MAOB (0.54) GPR35ALDH1A1ATMHTR1BCYP1B1
SCHEMBL4985501 0.83 GPR35 (0.52) GPR35ALDH1A1ATMHTR1B
SCHEMBL4994772 0.82 GPR35 (0.52) GPR35ATMHTR1BCYP1B1CYP1A1
Hydrochloric Acid SCHEMBL4982799 0.82 GPR35 (0.51) GPR35ALDH1A1ATMHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US claimed
CN-1821236-B Therapeutic heterocyclic compounds ASTRAZENECA AB 2010-06-23 CN disclosed
CN-100509794-C Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2009-07-08 CN disclosed
CN-100460402-C Therapeutic benzopyranone compounds used as intermediates. ASTRAZENECA AB (SE) 2009-02-11 CN disclosed
CN-100384833-C Therapeutic chroman compounds ASTRAZENECA AB (SE) 2008-04-30 CN disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
US-20030045668-A1 Method for thickening aqueous systems using hydrophilic polyurethanes FISCHER HERBERT (DE) 2003-03-06 US disclosed
US-20030032759-A1 A METHOD FOR FORMING AN ADHESIVE LAYER USING HYDROPHILIC POLYURETHANES RELATED APPLICATIONS FISCHER HERBERT (DE) 2003-02-13 US disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
US-6399735-B1 POLYETHERURETHANE COPOLYMER; CARPET ADHESIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-04 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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D GPR35 113/4885ALDH1A1 592/4885ATM 613/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A GPR35 214/4885ALDH1A1 517/4885ATM 814/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B GPR35 251/4885ALDH1A1 399/4885ATM 934/4885

“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.