SCHEMBL2967916

SCHEMBL2967916

CCOc1ccc(CC#N)cc1OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.45
KMT2A Q03164 4/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
PDE4A P27815 3/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
POLB P06746 2/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
TSHR P16473 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL2972012 0.93 CALM1 (0.41) CALM1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7315399 0.91 CALM1 (0.56) CALM1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7253321 0.91 PDE4A (0.52) CALM1KMT2AALDH1A1PDE4AMAPT
SCHEMBL6035149 0.88 MEN1 (0.56) KMT2AMAPK1SMN1; SMN2ALDH1A1MEN1
SCHEMBL11823484 0.86 PDE4A (0.42) CALM1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL12824881 0.84 BIRC5 (0.45) KMT2AMAPK1SMN1; SMN2ALDH1A1MEN1
SCHEMBL6895161 0.84 ALDH1A1 (0.50) KMT2AMAPK1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4380153 0.84 ALDH1A1 (0.49) CALM1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6430844 0.82 ALDH1A1 (0.48) ALDH1A1HPGD
SCHEMBL2704054 0.81 TACR2 (0.47) CALM1KMT2AMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777060-B2 Platinum analogs with bis-nitrile-containing ligands BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-08-17 US claimed
CN-120908328-A Method for measuring impurity content in 3, 4-diethoxyphenethylamine by utilizing HPLC 江苏联环药业股份有限公司 2025-11-07 CN disclosed
CN-120559138-A Method for measuring related substances of 3, 4-diethoxyphenylacetic acid by utilizing HPLC 江苏联环药业股份有限公司 2025-08-29 CN disclosed
CN-115073372-A Preparation method of drotaverine hydrochloride degradation impurities 江苏联环药业股份有限公司 2022-09-20 CN disclosed
CN-111170847-B Novel method for preparing drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2022-02-18 CN disclosed
CN-111170847-B Novel method for preparing drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2022-02-18 CN disclosed
CN-109796351-B Novel preparation method of drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2021-08-17 CN disclosed
CN-109796351-B Novel preparation method of drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2021-08-17 CN disclosed
CN-111170847-A Novel method for preparing drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2020-05-19 CN disclosed
CN-111170847-A Novel method for preparing drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2020-05-19 CN disclosed
EP-2114394-B1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS INC (US) 2012-08-15 EP disclosed
US-7777060-B2 Platinum analogs with bis-nitrile-containing ligands BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-2114394-A1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-11-11 EP disclosed
WO-2008100301-A1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008100301-A1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-20080194680-A1 Platinum analogs with bis-nitrile-containing ligands BIONUMERIK PHARMACEUTICALS, INC. 2008-08-14 US disclosed
US-4126615-A RANEY NICKEL CATALYST CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1978-11-21 US disclosed
US-3984559-A Compositions comprising tetramic acid analogs of pulvinic acid and methods of combating arthritis SMITHKLINE CORPORATION (US) 1976-10-05 US disclosed
US-3947580-A Anti-arthritic compositions comprising N-heterocyclic pulvinic acid amides and methods of producing anti-arthritic activity SMITHKLINE CORPORATION (US) 1976-03-30 US disclosed
US-3931207-A ANTIARTHRITIC SMITHKLINE CORPORATION (US) 1976-01-06 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 (1 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-20080194680-A1 Platinum analogs with bis-nitrile-containing ligands PCNA, LIG4, TOP2B CALM1 4783/4885KMT2A 3453/4885MAPK1 3993/4885

“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.