SCHEMBL55427

SCHEMBL55427

[CH2]C(CC)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.44
TAAR1 Q96RJ0 1/20 0.41
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
ALOX15 P16050 1/20 0.36
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7330688 0.80 KCNN4 (0.41) KCNN4TAAR1MAPK1TSHRCYP2C19
SCHEMBL595615 0.79 KCNN4 (0.44) KCNN4TAAR1MAPK1TSHRALDH1A1
SCHEMBL6086058 0.77 TAAR1 (0.44) KCNN4TAAR1MAPK1ALDH1A1CYP2C19
SCHEMBL5328918 0.77 KIF11 (0.41) KCNN4TAAR1CYP2D6DRD2DRD4
SCHEMBL1251565 0.75 CYP2C19 (0.41) KCNN4TAAR1ALDH1A1CYP2C19HIF1A
SCHEMBL5438143 0.75 TSHR (0.46) KCNN4TAAR1MAPK1TSHRALDH1A1
SCHEMBL27665654 0.74 TAAR1 (0.52) KCNN4TAAR1TSHRALDH1A1
SCHEMBL5738021 0.74 KCNN4 (0.44) KCNN4TAAR1MAPK1TSHRALDH1A1
SCHEMBL739411 0.74 KCNN4 (0.44) KCNN4TAAR1MAPK1TSHRALDH1A1
SCHEMBL1971090 0.72 KCNN4 (0.48) KCNN4TAAR1MAPK1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
CN-110325582-A Aqueous dispersion and method for producing aqueous dispersion AGC株式会社 2019-10-11 CN disclosed
EP-2589643-B1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME SK CHEMICALS CO LTD (KR) 2017-09-20 EP disclosed
US-9142784-B2 Highly efficient carbazole-based compound, and organic electroluminescence device comprising same SK CHEMICALS CO., LTD. (KR) 2015-09-22 US disclosed
WO-2014085413-A1 DISUBSTITUTED OXAZOLIDIN-2-ONES 5-HYDROXYTRYPTAMINE RECEPTOR 2B ACTIVITY MODULATORS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-06-05 WO disclosed
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-20130119367-A1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME INDUSTRY ACADEMIC COOPERATION FOUNDATION, DANKOOK UNIVERSITY (KR) 2013-05-16 US disclosed
EP-2589643-A2 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME Industry-Academic Cooperation Foundation, Dankook University (KR) 2013-05-08 EP disclosed
CN-1104239-C Novel N-substituted pyrrolidine derivatives and process for preparing same KYORIN SEIYAKU KK (JP) 2003-04-02 CN disclosed
CN-1239428-A Novel N-substituted pyrrolidine derivatives and process for preparing same KYORIN SEIYAKU KK (JP) 1999-12-22 CN disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO disclosed
US-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed
US-4438020-A CARBONYLATION, HYDROGENATION GULF RESEARCH & DEVELOPMENT COMPANY (US) 1984-03-20 US disclosed
US-4361706-A FROM METHANOL, HYDROGEN AND CARBON MONOXIDE IN PRESENCE OF COBALT,IODINE AND PHOSPHORUS COMPOUND GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-11-30 US disclosed
US-4352947-A METHANOL; CARBON MONOXIDE; HYDROGEN; COBALT; IODINE; RUTHENIUM; AND PHOSPHORUS, NITROGEN, OR ARSENIC LIGAND GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-05 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 (2 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 KCNN4 239/4885TAAR1 199/4885MAPK1 3136/4885
US-20130119367-A1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME PPIP5K2, INPP5B, EZH2 KCNN4 351/4885TAAR1 4528/4885MAPK1 2480/4885

“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.