SCHEMBL101998

SCHEMBL101998

CC(C)CC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
GBA1 P04062 2/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A12 P48065 2/20 0.32
SLC6A11 P48066 2/20 0.32
SLC6A13 Q9NSD5 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRR1 P24046 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
SCHEMBL21188809 0.97 CPN1 (0.42) CPN1CPB2GBA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL10276516 0.97 CPN1 (0.42) CPN1CPB2GBA1GNAI3GNAO1
SCHEMBL20756219 0.91 CPN1 (0.39) CPN1CPB2GBA1GNAI3GNAO1
SCHEMBL21189155 0.91 CXCR4 (0.39) CPN1CPB2GBA1GNAI3GNAO1
SCHEMBL1691633 0.85
SCHEMBL1517058 0.85
SCHEMBL4420168 0.85
SCHEMBL22738127 0.81 MMP9 (0.40) CPN1CPB2SLC6A2SLC6A4
SCHEMBL24261183 0.80 CPN1 (0.46) CPN1CPB2GBA1GNAI3GNAO1
SCHEMBL7058423 0.80 CPN1 (0.46) CPN1CPB2GBA1GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524396-A 2011-09-01 JP claimed
EP-2297096-A2 ARYL KETONE AS MRI F. Hoffmann-La Roche AG (CH) 2011-03-23 EP claimed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US claimed
WO-2009153178-A2 ARYL KETONE AS MRI F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP claimed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO claimed
WO-2025233901-A1 ACTIVATORS OF PYRUVATE KINASE ISOFORM M2 AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE BIOHAVEN THERAPEUTICS LTD. (VG) 2025-11-13 WO disclosed
US-20250213735-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2025-07-03 US disclosed
CN-119954712-A Compound containing phenoxynaphthalene and preparation method and application thereof 四川轻化工大学 2025-05-09 CN disclosed
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2025-04-10 US disclosed
US-20240217990-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2024-07-04 US disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
CN-1198155-A Process for preparation of piperidines KOEI CHEMICAL CO (JP) 1998-11-04 CN disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 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 (5 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CPN1 2372/4885CPB2 2344/4885GBA1 2652/4885
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 CPN1 3539/4885CPB2 2811/4885GBA1 1097/4885
US-20250213735-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R CPN1 872/4885CPB2 1396/4885GBA1 2051/4885
US-20240217990-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 CPN1 4491/4885CPB2 2176/4885GBA1 2254/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C CPN1 3279/4885CPB2 4560/4885GBA1 2527/4885

“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.