SCHEMBL2296624

SCHEMBL2296624

CCNCC(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.55
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
PTPN1 P18031 1/20 0.52
PLOD2 O00469 1/20 0.50
DPP4 P27487 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
AGTR1 P30556 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 4/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 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
SCHEMBL10337862 0.85 HTR7 (0.56) HTR7NPC1RAB9APTPN1PLOD2
SCHEMBL2295966 0.81 GSK3B (0.53) NPC1RAB9AALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL6466892 0.81 HSD17B3 (0.55) NPC1RAB9APTPN1ALDH1A1MAPT
SCHEMBL2298462 0.81 GSK3B (0.53) NPC1RAB9ADPP4ALDH1A1MAPT
SCHEMBL10370630 0.80 ALDH1A1 (0.51) HTR7NPC1RAB9APTPN1PLOD2
SCHEMBL6046322 0.80 KMT2A (0.58) NPC1RAB9APTPN1PLOD2ALDH1A1
SCHEMBL2299475 0.80 NPC1 (0.55) HTR7NPC1RAB9APTPN1PLOD2
SCHEMBL2294282 0.79 CES2 (0.52) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL14141221 0.79 HTR7 (0.67) HTR7NPC1RAB9APTPN1PLOD2
Hydrochloric Acid SCHEMBL10370270 0.79 ALDH1A1 (0.50) HTR7NPC1RAB9APTPN1PLOD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 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 (3 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 HTR7 1091/4885NPC1 1685/4885RAB9A 3397/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 HTR7 1091/4885NPC1 1685/4885RAB9A 3397/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 HTR7 1091/4885NPC1 1685/4885RAB9A 3397/4885

“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.