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
SCHEMBL85497 0.79 ACE (0.41) PEPDLMNARAB9ALTA4H
SCHEMBL389987 0.79 POLB (0.49) POLBFKBP1ATP53PEPDXPNPEP1
SCHEMBL4109077 0.79 POLB (0.49) POLBFKBP1ATP53PEPDXPNPEP1
SCHEMBL11990391 0.79 ACE (0.41) PEPDLMNARAB9ALTA4H
SCHEMBL11990508 0.79 DPP4 (0.33) —
SCHEMBL200913 0.79 POLB (0.49) POLBFKBP1ATP53PEPDXPNPEP1
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.

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