SCHEMBL7804376

SCHEMBL7804376

O=C1CC2CCC(C1)N2CCCO

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 2/20 0.35
PABPC1 P11940 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
BRD4 O60885 1/20 0.32
HTR4 Q13639 2/20 0.31
SMYD3 Q9H7B4 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
SCHEMBL7799242 0.92 MAPK1 (0.38) MAPK1TSHRUSP2HTTHSD17B10
SCHEMBL4351591 0.79 MAPK1 (0.41) MAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL7805841 0.76 SIGMAR1 (0.35) SIGMAR1
SCHEMBL28641227 0.75 MAPK1 (0.43) MAPK1KMT2AMEN1
SCHEMBL5415021 0.75 MAPK1 (0.48) MAPK1KMT2AMEN1SIGMAR1ALDH1A1
SCHEMBL7799394 0.73 OPRM1 (0.31) TSHRUSP2HTTHSD17B10SIGMAR1
SCHEMBL7808200 0.73 OPRM1 (0.31) TSHRUSP2HTTHSD17B10SIGMAR1
SCHEMBL25993195 0.72 KDM4E (0.37) SMYD3
Hydrochloric Acid SCHEMBL8389564 0.72 DRD2 (0.31) MAPK1KMT2AMEN1OPRM1OPRD1
SCHEMBL24114565 0.71 LMNA (0.48) TSHRUSP2HTTHSD17B10SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11029571-A None JP disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
EP-0710662-B1 QUINOLINECARBOXYLIC ACID DERIVATIVE SYNGENTA LTD (GB) 2001-04-04 EP disclosed
EP-1018513-A2 Quinolinecarboxylic acid derivatives ZENECA LIMITED (GB) 2000-07-12 EP disclosed
JP-H1129571-A PRODUCTION OF ENDO-8-SUBSTITUTED-3-AMINO-8-AZABICYCLO(3.2.1)OCTANE DERIVATIVE TAISHO PHARMACEUT CO LTD 1999-02-02 JP disclosed
EP-0710662-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1996-05-08 EP 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 (1 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-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF MAPK1 81/4885TSHR 4687/4885USP2 3463/4885

“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.