SCHEMBL415470

SCHEMBL415470

COC(=O)C1CCCN1B(C)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
FKBP1A P62942 4/20 0.40
TP53 P04637 1/20 0.40
PEPD P12955 2/20 0.38
XPNPEP1 Q9NQW7 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
LTA4H P09960 2/20 0.36
ALOX5 P09917 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
SCHEMBL12288845 0.95 FKBP1A (0.46) POLBFKBP1ATP53SMN1; SMN2LMNA
SCHEMBL11990385 0.91 TP53 (0.41) POLBFKBP1ATP53SMN1; SMN2
SCHEMBL9969991 0.80 ALDH1A1 (0.40) POLBTP53
SCHEMBL4109077 0.79 POLB (0.49) POLBFKBP1ATP53PEPDXPNPEP1
SCHEMBL11990508 0.79 DPP4 (0.33)
SCHEMBL389987 0.79 POLB (0.49) POLBFKBP1ATP53PEPDXPNPEP1
SCHEMBL200913 0.79 POLB (0.49) POLBFKBP1ATP53PEPDXPNPEP1
SCHEMBL85497 0.79 ACE (0.41) PEPDLMNARAB9ALTA4H
SCHEMBL11990391 0.79 ACE (0.41) PEPDLMNARAB9ALTA4H
SCHEMBL8227865 0.79 ACE (0.41) PEPDLMNARAB9ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 US disclosed
US-9375423-B2 Use of aminoindane compounds in treating overactive bladder and interstitial cystitis ASANA BIOSCIENCES, LLC (US) 2016-06-28 US disclosed
US-20150290182-A1 USE OF AMINOINDANE COMPOUNDS IN TREATING OVERACTIVE BLADDER AND INTERSTITIAL CYSTITIS ASANA BIOSCIENCES, LLC (US) 2015-10-15 US disclosed
US-9044482-B2 Use of aminoindane compounds in treating overactive bladder and interstitial cystitis ASANA BIOSCIENCES, LLC (US) 2015-06-02 US disclosed
US-8865741-B2 Aminoindane compounds and use thereof in treating pain ASANA BIOSCIENCES, LLC (US) 2014-10-21 US disclosed
US-20140051702-A1 Use of Aminoindane Compounds in Treating Overactive Bladder and Interstitial Cystitis ENDO PHARMACEUTICALS INC. (US) 2014-02-20 US disclosed
US-20120214809-A1 Aminoindane Compounds and Use Thereof in Treating Pain Libertas Bio, Inc. 2012-08-23 US disclosed
US-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF IYER PRAVIN (US) 2012-03-15 US disclosed
US-8084623-B2 heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents ROCHE PALO ALTO LLC (US) 2011-12-27 US disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF CNKSR1, RB1, AR POLB 1550/4885FKBP1A 2521/4885TP53 829/4885
US-20120214809-A1 Aminoindane Compounds and Use Thereof in Treating Pain TRPA1, TRPV1, TRPV2 POLB 4837/4885FKBP1A 946/4885TP53 3899/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR POLB 1550/4885FKBP1A 2521/4885TP53 829/4885
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP POLB 1568/4885FKBP1A 97/4885TP53 1125/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C POLB 3194/4885FKBP1A 2199/4885TP53 4703/4885
US-20140051702-A1 Use of Aminoindane Compounds in Treating Overactive Bladder and Interstitial Cystitis IDO1, IDO2, SLC1A2 POLB 2658/4885FKBP1A 1055/4885TP53 4634/4885
US-20150290182-A1 USE OF AMINOINDANE COMPOUNDS IN TREATING OVERACTIVE BLADDER AND INTERSTITIAL CYSTITIS IDO1, IDO2, SLC1A2 POLB 2658/4885FKBP1A 1055/4885TP53 4634/4885

“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.