SCHEMBL102863

SCHEMBL102863

NCC1CCC(F)(F)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
APLNR P35414 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
Hydrochloric Acid SCHEMBL306682 0.97 NCF1 (0.37) NCF1CYP3A4CYP2C9CYP2C19PLG
Hydrochloric Acid SCHEMBL16033739 0.95 NCF1 (0.36) NCF1CYP3A4CYP2C9CYP2C19PLG
SCHEMBL19744251 0.84
SCHEMBL4330357 0.82 PLG (0.42) PLGPLATLMNACHRM2CHRM1
SCHEMBL19555539 0.79 CHRM2 (0.37) CHRM2CHRM1CHRM3
SCHEMBL21622137 0.79 NCF1 (0.41) NCF1CYP3A4CYP2C9CYP2C19PLG
Hydrochloric Acid SCHEMBL16323175 0.77 MAOB (0.36) CHRM2CHRM1CHRM3
SCHEMBL14669119 0.74 NCF1 (0.40) NCF1CYP3A4CYP2C9CYP2C19PLG
SCHEMBL580930 0.74 APLNR (0.32) APLNR
SCHEMBL14420772 0.74 CYP3A4 (0.38) NCF1CYP3A4CYP2C9CYP2C19PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP claimed
CN-101511771-A A process for producing [(4,4- dif luorocyclohexyl) methyl] amine ASTRAZENECA AB (SE) 2009-08-19 CN claimed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US claimed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO claimed
US-20260028333-A1 NEW COMPOUNDS VICORE PHARMA AB (SE) 2026-01-29 US disclosed
US-20260022135-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF 1CBIO INC (US) 2026-01-22 US disclosed
EP-4682148-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Ireland Unlimited Company (IE) 2026-01-21 EP disclosed
US-20250320217-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA INC (US) 2025-10-16 US disclosed
EP-4630404-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2025-10-15 EP disclosed
US-12435051-B2 Dual modulator of mGluR5 and 5-HT2A receptor, and use thereof VIVOZON, INC. (KR) 2025-10-07 US disclosed
US-12435072-B2 Compounds VICORE PHARMA AB (SE) 2025-10-07 US disclosed
US-12325720-B2 Ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP1) inhibitors and uses thereof 1CBIO, INC. (US) 2025-06-10 US disclosed
WO-2006033631-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
WO-2006033627-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF IIII ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
US-7019001-B2 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 US disclosed
EP-1455792-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-6727247-B2 ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2004-04-27 US disclosed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US disclosed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 WO 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 (9 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-20260028333-A1 NEW COMPOUNDS AGTR1, AGTR2, REN NCF1 1118/4885CYP3A4 1313/4885CYP2C9 2518/4885
US-12435051-B2 Dual modulator of mGluR5 and 5-HT2A receptor, and use thereof GRM5, HTR5A, HTR2A NCF1 3387/4885CYP3A4 4648/4885CYP2C9 4033/4885
US-20030149036-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B NCF1 1772/4885CYP3A4 960/4885CYP2C9 1821/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B NCF1 1772/4885CYP3A4 960/4885CYP2C9 1821/4885
US-20260022135-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, NCEH1 NCF1 394/4885CYP3A4 2626/4885CYP2C9 1347/4885
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 NCF1 958/4885CYP3A4 1331/4885CYP2C9 1621/4885
US-12325720-B2 Ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP1) inhibitors and uses thereof ENPP1, ENPP3, ENPP2 NCF1 1006/4885CYP3A4 2491/4885CYP2C9 1225/4885
US-12435072-B2 Compounds RXFP3, RXFP4, ARG1 NCF1 300/4885CYP3A4 613/4885CYP2C9 1646/4885
US-20250320217-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 NCF1 3097/4885CYP3A4 2024/4885CYP2C9 3382/4885

“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.