SCHEMBL294657

SCHEMBL294657

[CH2]CN(C)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TSHR P16473 3/20 0.58
CARM1 Q86X55 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
PRMT8 Q9NR22 1/20 0.57
LMNA P02545 2/20 0.55
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
USP2 O75604 1/20 0.55
CYP3A4 P08684 1/20 0.55
PYCR1 P32322 1/20 0.55
AOC3 Q16853 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
BLM P54132 1/20 0.53
KDM4E B2RXH2 2/20 0.52
SIGMAR1 Q99720 1/20 0.52
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
Dibemethine SCHEMBL276863 0.85 ALDH1A1 (0.70) ALDH1A1TSHRCARM1PRMT6PRMT8
Dibemethine SCHEMBL10542007 0.85 ALDH1A1 (0.70) ALDH1A1TSHRCARM1PRMT6PRMT8
Dibemethine SCHEMBL2139708 0.82 ALDH1A1 (0.67) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL3377392 0.82 CARM1 (0.64) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL11278307 0.80 ALDH1A1 (0.64) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL7055109 0.80 CARM1 (0.75) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL11181366 0.79 PYCR1 (0.57) ALDH1A1TSHRLMNAMAOBPYCR1
SCHEMBL5234462 0.79 SIGMAR1 (0.65) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL355111 0.78 TSHR (0.61) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL22305213 0.78 KDM4E (0.61) ALDH1A1TSHRCARM1PRMT6PRMT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103408554-A Hypertensive activity reducing pyrrole coumarins compound and preparation method thereof UNIV XI AN JIAOTONG 2013-11-27 CN claimed
US-7846959-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2010-12-07 US claimed
CN-101863941-A Derivative of 3-oxygen-substituted 6,11-di-oxygen-clarithromycin A UNIV WUHAN 2010-10-20 CN claimed
CN-101845069-A Derivative of 4'-substituted 6,11-2-oxygen-carithromycin A UNIV WUHAN 2010-09-29 CN claimed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-08-21 US claimed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO claimed
US-20080009488-A1 Raf Modulators and Methods of Use EXELIXIS, INC. (US) 2008-01-10 US claimed
EP-1786420-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF CENTRAL NEUROPATHIC PAIN Laboratorios del Dr. Esteve S.A. (ES) 2007-05-23 EP claimed
EP-0207674-A2 1,4-Dihydropyridine derivatives, their preparation and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP claimed
EP-0189898-A1 1,6-Nephthyridinone derivatives and process for their preparation GÖDECKE AKTIENGESELLSCHAFT (DE) 1986-08-06 EP claimed
EP-0180785-A1 Pharmaceutical preparation containing a combination of Nitrendipin and Enalapril and process for its preparation BAYER AG (DE) 1986-05-14 EP claimed
EP-0063359-B1 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME BANYU PHARMACEUTICAL CO., LTD. (JP) 1985-12-11 EP claimed
EP-0159040-A2 Pyridine derivatives and production thereof NIPPON SHINYAKU COMPANY, LIMITED (JP) 1985-10-23 EP claimed
US-4535073-A VASODILATION NIPPON SHINYAKU CO LIMITED (JP) 1985-08-13 US claimed
EP-0101023-A1 Process for preparing 2-carbamoyloxyalkyl-1,4-dihydropyridine derivatives and intermediates useful for the process BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-02-22 EP claimed
US-4404378-A HYPOTENSIVE AGENTS; VASODILATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1983-09-13 US claimed
EP-0063747-A1 2-Substituted or unsubstituted aminocarbonyloxyalkyl-1,4-dihydropyridines BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-11-03 EP claimed
EP-0063359-A1 1,4-Dihydropyridine derivatives and processes for preparing the same BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-10-27 EP claimed

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-20080009488-A1 Raf Modulators and Methods of Use BRAF, RAF1, ARAF ALDH1A1 2799/4885TSHR 3427/4885CARM1 1015/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 ALDH1A1 451/4885TSHR 594/4885CARM1 1522/4885

“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.