SCHEMBL8470445

SCHEMBL8470445

CN1CCC2(CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.35
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL20411533 0.97 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL26041077 0.97 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL20047143 0.97 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL1375292 0.97 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL27380027 0.97 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL13890773 0.97 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
Hydrochloric Acid SCHEMBL1373582 0.94 TSHR (0.37) TSHRUSP2CYP1A2HIF1A
SCHEMBL13638472 0.94 TSHR (0.39) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL18535491 0.92 USP2 (0.40) TSHRUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL12946062 0.92 USP2 (0.40) TSHRUSP2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-07-18 US disclosed
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-07-18 US disclosed
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
EP-4328228-A1 HETEROCYCLIC COMPOUND FOR INHIBITING SHP2 ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2024-02-28 EP disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
WO-2023239710-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2023-12-14 WO disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 US disclosed
WO-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023173017-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2007124319-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007098961-A1 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-07 WO disclosed
EP-1829869-A1 4,5,6,7-Tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP disclosed
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
US-7223780-B2 Triazole-derivatives as blood clotting enzyme factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-7196103-B2 Indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-27 US disclosed
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-01 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 (7 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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA TSHR 3763/4885USP2 3843/4885CYP1A2 3650/4885
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS KCNQ3, KCNK3, KCNK2 TSHR 891/4885USP2 3406/4885CYP1A2 795/4885
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors F12, F2, F5 TSHR 619/4885USP2 3365/4885CYP1A2 182/4885
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor NLRP3, NLRP1, NOD1 TSHR 4443/4885USP2 2879/4885CYP1A2 1159/4885
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF KRAS, NRAS, HRAS TSHR 4220/4885USP2 1266/4885CYP1A2 3780/4885
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents MAVS, MTAP, SAMHD1 TSHR 4731/4885USP2 1511/4885CYP1A2 731/4885
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 TSHR 520/4885USP2 3775/4885CYP1A2 1263/4885

“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.