SCHEMBL96929

SCHEMBL96929

COCC1CCCN(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
ADRA2A P08913 2/20 0.39
DRD1 P21728 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
ADRA1A P35348 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
KCNH2 Q12809 2/20 0.39
CHRM3 P20309 2/20 0.39
HTR2A P28223 2/20 0.39

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
SCHEMBL12886555 1.00 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4MAOA
SCHEMBL12886557 1.00 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4MAOA
SCHEMBL14124540 0.87 NCF1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4MAOA
SCHEMBL12211345 0.86
SCHEMBL3436815 0.86
SCHEMBL96690 0.86
SCHEMBL18272421 0.83 CHRM2 (0.33) CHRM2CHRM1CHRM3LMNA
SCHEMBL16391026 0.83 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4MAOA
SCHEMBL14747932 0.83 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4MAOA
SCHEMBL18199512 0.82 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4MAOA

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 231 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-20240229063-A1 TRANSGENIC CORN EVENT ZM_CSM63715 AND METHODS FOR DETECTION AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2024-07-11 US disclosed
US-11874434-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2024-01-16 US disclosed
US-11874434-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2024-01-16 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
WO-2023161172-A1 SUBSTITUTED N-BENZOIC ACID URACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-08-31 WO disclosed
EP-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 EP disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-20080225400-A1 PHOTOCHROMIC MATERIALS AND PHOTOCHROMIC COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2008-09-18 US disclosed
WO-2008101953-A1 COMPOUNDS OF FORMULA (I) AS SERINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080103301-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2008-05-01 US disclosed
US-20080103301-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2008-05-01 US disclosed
US-20070278460-A1 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL LIMITED (IE) 2007-12-06 US disclosed
US-20070278460-A1 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL LIMITED (IE) 2007-12-06 US disclosed
US-20070278461-A1 PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2007-12-06 US disclosed
US-20070278461-A1 PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2007-12-06 US disclosed
US-7255984-B2 Combination therapy for osteoporosis PFIZER INC. (US) 2007-08-14 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 (6 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 CHRNB2 4471/4885CHRNB4 4364/4885CHRNA3 4032/4885
US-20080103301-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES PNPO, FLAD1, CRY2 CHRNB2 2988/4885CHRNB4 3300/4885CHRNA3 3454/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 CHRNB2 3404/4885CHRNB4 3026/4885CHRNA3 3830/4885
US-20070278461-A1 PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS TELO2, EYA3, CRY2 CHRNB2 718/4885CHRNB4 1166/4885CHRNA3 581/4885
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 CHRNB2 4775/4885CHRNB4 4763/4885CHRNA3 4747/4885
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF KRAS, NRAS, HRAS CHRNB2 4858/4885CHRNB4 4874/4885CHRNA3 4876/4885

“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.