SCHEMBL3002292

SCHEMBL3002292

CCOCN1CCC(CNC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.41
EPHX1 P07099 3/20 0.41
EPHX2 P34913 3/20 0.41
ACHE P22303 4/20 0.37
FAAH O00519 2/20 0.37
BCHE P06276 1/20 0.37
BRD4 O60885 1/20 0.36
KCNH2 Q12809 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
HTR4 Q13639 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL2053924 0.82 EPHX1 (0.56) KDM4ECYP2D6EPHX1EPHX2ACHE
SCHEMBL1975177 0.81 DRD2 (0.48) KDM4EKCNH2CACNA1IDRD2ALDH1A1
SCHEMBL28265460 0.78 CYP2D6 (0.44) KDM4EPOLBCYP2D6EPHX1EPHX2
SCHEMBL16494745 0.74 CYP2D6 (0.50) CYP2D6EPHX1EPHX2BRD4HDAC4
SCHEMBL12393414 0.74 HRH3 (0.31) CYP2D6ALDH1A1
SCHEMBL23523479 0.72 CYP2D6 (0.49) KDM4EPOLBCYP2D6EPHX1EPHX2
SCHEMBL4270988 0.72 CYP2D6 (0.53) CYP2D6EPHX1EPHX2KCNH2CACNA1I
SCHEMBL25225197 0.72 CYP2D6 (0.53) KDM4ECYP2D6EPHX1EPHX2HDAC3
SCHEMBL17711673 0.72 KDM4E (0.50) KDM4EPOLBCYP2D6EPHX2ALDH1A1
SCHEMBL6219593 0.72 CACNA1I (0.61) KDM4EPOLBCYP2D6EPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
EP-1856114-B1 BENZISOXAZOLE DERIVATIVES PFIZER (US) 2014-08-20 EP disclosed
US-20100173925-A1 OXYINDOLE DERIVATIVES PFIZER INC 2010-07-08 US disclosed
US-7737163-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-06-15 US disclosed
US-7705020-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-04-27 US disclosed
US-7595329-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC (US) 2009-09-29 US disclosed
US-7589109-B2 Oxyindole derivatives PFIZER INC (US) 2009-09-15 US disclosed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US disclosed
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 US disclosed
EP-1856114-A1 BENZISOXAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-11-21 EP disclosed
EP-1758891-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES Pfizer Japan Inc. (JP) 2007-03-07 EP disclosed
WO-2006090224-A1 BENZISOXAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-08-31 WO disclosed
US-20060194842-A1 Oxyindole derivatives PFIZER INC. 2006-08-31 US disclosed
WO-2005123718-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES PFIZER JAPAN INC. (JP) 2005-12-29 WO disclosed
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives PFIZER JAPAN INC. (JP) 2005-12-15 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 (7 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-20100173925-A1 OXYINDOLE DERIVATIVES HTR4, HTR5A, HRH4 KDM4E 4058/4885POLB 4788/4885CYP2D6 468/4885
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 KDM4E 3571/4885POLB 4221/4885CYP2D6 311/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 KDM4E 3571/4885POLB 4221/4885CYP2D6 311/4885
US-20060194842-A1 Oxyindole derivatives HTR4, HTR5A, HRH4 KDM4E 4058/4885POLB 4788/4885CYP2D6 468/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 KDM4E 3571/4885POLB 4221/4885CYP2D6 311/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 KDM4E 3540/4885POLB 4325/4885CYP2D6 428/4885
US-20080207690-A1 Benzisoxazole Derivatives BRS3, MRGPRX4, HTR4 KDM4E 3363/4885POLB 4279/4885CYP2D6 701/4885

“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.