SCHEMBL307338

SCHEMBL307338

Cc1ccc(C(C)(C)C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.44
CYP2A6 P11509 1/20 0.44
ACHE P22303 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.38
KIF11 P52732 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
RORC P51449 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
GRM1 Q13255 1/20 0.34

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
SCHEMBL6563317 0.89 KIF11 (0.41) TSHRALDH1A1TDP1KIF11PIK3CA
SCHEMBL15220283 0.88 TSHR (0.41) TSHRALDH1A1CYP2A6ACHETDP1
SCHEMBL17955401 0.83 KIF11 (0.38) TSHRALDH1A1CYP2A6ATMKIF11
SCHEMBL11044204 0.82 KIF11 (0.52) TSHRALDH1A1ACHETDP1KIF11
SCHEMBL306585 0.78 KIF11 (0.59) TSHRALDH1A1CYP2A6KIF11CA2
SCHEMBL1244431 0.78 ESR1 (0.55) TSHRALDH1A1MTORNPC1MAPT
SCHEMBL11055 0.78 APP (0.36) KIF11PIK3CAMTORRORCESR1
SCHEMBL358617 0.78 MAPT (0.43) ALDH1A1ACHETDP1KIF11PIK3CA
SCHEMBL9447367 0.78 TSHR (0.50) TSHRALDH1A1CYP2A6ACHETDP1
SCHEMBL3413029 0.78 MEN1 (0.50) TSHRCYP2A6KIF11NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561993-A1 INHIBITORS OF PLASMA KALLIKREIN Rezolute, Inc. (US) 2025-06-04 EP disclosed
CN-120051460-A Plasma kallikrein inhibitors 瑞泽路特有限公司 2025-05-27 CN disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-27 US disclosed
EP-3704102-B1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS US HEALTH (US) 2024-02-28 EP disclosed
WO-2024025907-A1 INHIBITORS OF PLASMA KALLIKREIN REZOLUTE, INC. (US) 2024-02-01 WO disclosed
US-20240023435-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-01-18 US disclosed
US-20230399350-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-12-14 US disclosed
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
US-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP disclosed
EP-0681582-A1 PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PHARMACIA & UPJOHN COMPANY (US) 1995-11-15 EP disclosed
WO-1994017069-A1 PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1994-08-04 WO disclosed
US-5274104-A N-substituted heterocyclic derivatives useful in the treatment of cardiovascular disorders ELF SANOFI, A FRENCH CORP. (FR) 1993-12-28 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 (8 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-20230399350-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP TSHR 4267/4885ALDH1A1 504/4885CYP2A6 767/4885
US-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 TSHR 1550/4885ALDH1A1 710/4885CYP2A6 843/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 TSHR 1532/4885ALDH1A1 788/4885CYP2A6 813/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG TSHR 2736/4885ALDH1A1 149/4885CYP2A6 1979/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA TSHR 630/4885ALDH1A1 1148/4885CYP2A6 1205/4885
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, SSB, L1CAM TSHR 1035/4885ALDH1A1 419/4885CYP2A6 2487/4885
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, SOD1, ROS1 TSHR 189/4885ALDH1A1 569/4885CYP2A6 4425/4885
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, CCND2 TSHR 1707/4885ALDH1A1 497/4885CYP2A6 3970/4885

“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.