SCHEMBL48088

SCHEMBL48088

C[C@H](c1ccccc1)N1CC(O)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
MC4R P32245 1/20 0.53
OPRM1 P35372 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 2/20 0.49
OPRD1 P41143 1/20 0.49
CCR5 P51681 1/20 0.48
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KCNA3 P22001 1/20 0.42
HSD11B1 P28845 1/20 0.41
HPGD P15428 1/20 0.40
DRD4 P21917 1/20 0.39

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
SCHEMBL2916607 1.00 CYP2D6 (0.61) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL9596277 1.00 CYP2D6 (0.61) CYP2D6MC4ROPRM1OPRK1OPRL1
Ethane SCHEMBL9682617 0.98 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1
Fumaric Acid SCHEMBL9596362 0.88 CYP2D6 (0.49) CYP2D6MC4ROPRM1OPRK1OPRL1
Maleic Acid SCHEMBL9596354 0.88 CYP2D6 (0.49) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL5275767 0.85 CYP2D6 (0.58) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL9137138 0.85 CYP2D6 (0.58) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL6097455 0.83 CYP2D6 (0.65) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2916278 0.82 HSD11B1 (0.46) CYP2D6OPRM1HSD11B1
SCHEMBL19614197 0.81 CYP2D6 (0.68) CYP2D6MC4ROPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
CN-101643470-B Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2012-08-01 CN disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20100274003-A1 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME Kukje Pharm Ind co. Ltd (KR) 2010-10-28 US disclosed
EP-1784407-B1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2010-09-08 EP disclosed
EP-2188287-A2 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME Kukje Pharm. Ind. Co., Ltd. (KR) 2010-05-26 EP disclosed
WO-2009038328-A2 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME KUKJE PHARM. IND. CO., LTD. (KR) 2009-03-26 WO disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
US-20070244089-A1 2- Arylmethylazetidine Carbapenem Derivatives and Preparation Thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-18 US disclosed
EP-1437353-B1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2007-06-13 EP disclosed
US-20060194781-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-31 US disclosed
US-7087594-B2 central nervous system disorders; regenerating nervous systems TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-08 US disclosed
US-20050070521-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1437353-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-07-14 EP 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 (4 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-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 CYP2D6 4089/4885MC4R 4649/4885OPRM1 1485/4885
US-20100274003-A1 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME SLC7A5, SI, ADSL CYP2D6 2244/4885MC4R 4366/4885OPRM1 4388/4885
US-20070244089-A1 2- Arylmethylazetidine Carbapenem Derivatives and Preparation Thereof SCN9A, SCN2A, SCN5A CYP2D6 170/4885MC4R 2462/4885OPRM1 837/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 CYP2D6 4089/4885MC4R 4649/4885OPRM1 1485/4885

“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.