SCHEMBL80737

SCHEMBL80737

[c]1cnnc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL17511854 0.74 NQO2 (0.41) MAPTALDH1A1GLAHPGDACHE
SCHEMBL451100 0.68
SCHEMBL449767 0.68
SCHEMBL82645 0.68
SCHEMBL286948 0.67 ALDH1A1 (0.37) MAPTALDH1A1HPGD
SCHEMBL286319 0.67 NUDT1 (0.33)
SCHEMBL17511981 0.63 HSD17B10 (0.39) MAPTALDH1A1
SCHEMBL8727 0.62 ALDH1A1 (0.41) MAPTALDH1A1
SCHEMBL4875167 0.62 MAPT (0.46) GPR3MAPTALDH1A1GLAHPGD
SCHEMBL450208 0.62 GPR3 (0.35) GPR3MAPT

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 1769 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US claimed
US-10550203-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2020-02-04 US claimed
EP-3558969-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-10-30 EP claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
US-20180319905-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2018-11-08 US claimed
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO claimed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US claimed
US-20170015760-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-19 US claimed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US claimed
EP-2423212-B1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-06-01 EP claimed
WO-1990012010-A1 SUBSTITUTED CHROMANS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1990-10-18 WO claimed
EP-0391625-A1 Substituted chromans in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1990-10-10 EP claimed
EP-0391624-A1 Substituted 1-[3-heteroarylmethoxy)phenyl] alkanols and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1990-10-10 EP claimed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO claimed
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP claimed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP claimed
EP-0219451-A1 Semicarbazones and thiosemicarbazones SANDOZ AG (CH) 1987-04-22 EP claimed
EP-0118528-A4 5-(BICYCLIC NITROGEN-HETEROARYL)PYRID-2-ONES AND THEIR USE FOR INCREASING CARDIAC CONTRACTILITY. RORER INTERNAT OVERSEAS INC (US) 1985-09-09 EP claimed
EP-0118528-A1 5-(BICYCLIC NITROGEN-HETEROARYL)PYRID-2-ONES AND THEIR USE FOR INCREASING CARDIAC CONTRACTILITY RORER INTERNATIONAL (OVERSEAS) INC. (US) 1984-09-19 EP claimed
WO-1984000756-A1 5 (BICYCLIC NITROGEN-HETEROARYL)PYRID-2-ONES AND THEIR USE FOR INCREASING CARDIAC CONTRACTILLITY RORER INT OVERSEAS (US) 1984-03-01 WO claimed

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-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 GPR3 3242/4885MAPT 717/4885ALDH1A1 4836/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A GPR3 415/4885MAPT 539/4885ALDH1A1 953/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 GPR3 3153/4885MAPT 2314/4885ALDH1A1 2543/4885

“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.