SCHEMBL1155880

SCHEMBL1155880

O=C(O)C1CCc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.40
KCNH2 Q12809 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
P2RX7 Q99572 2/20 0.39
IDH1 O75874 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIN1 Q13526 1/20 0.36
FAAH O00519 2/20 0.35

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
Trifluoroacetic Acid SCHEMBL13269727 0.91 ELANE (0.38) OPRL1KCNH2HDAC1HDAC6TRPV1
SCHEMBL2597816 0.90 HDAC1 (0.46) HDAC1HDAC6P2RX7
SCHEMBL11983384 0.85 FNTA (0.40) OPRL1KCNH2HDAC1HDAC6TRPV1
SCHEMBL29560239 0.81 HDAC1 (0.39) HDAC1HDAC6TRPV1P2RX7IDH1
SCHEMBL1198594 0.81 HDAC1 (0.39) HDAC1HDAC6TRPV1P2RX7IDH1
SCHEMBL27674615 0.79 KDM4E (0.40) OPRL1P2RX7IDH1KDM4E
SCHEMBL2877588 0.76 OPRL1 (0.49) OPRL1KCNH2TRPV1P2RX7KDM4E
SCHEMBL9770662 0.76 MCL1 (0.49) HDAC1HDAC6P2RX7KDM4E
SCHEMBL14638591 0.76 HTR2A (0.41) OPRL1KCNH2HDAC1HDAC6TRPV1
SCHEMBL19839279 0.76 PPARD (0.44) OPRL1KCNH2HDAC1HDAC6P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
EP-3247354-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-29 EP disclosed
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
WO-2016118403-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-28 WO disclosed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
WO-2009124166-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
WO-2009124167-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO 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 (6 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-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 OPRL1 76/4885KCNH2 522/4885HDAC1 3253/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 OPRL1 76/4885KCNH2 522/4885HDAC1 3253/4885
US-20150315141-A1 Thrombin Inhibitors F3, F2, F9 OPRL1 2000/4885KCNH2 746/4885HDAC1 949/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C OPRL1 60/4885KCNH2 158/4885HDAC1 278/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 OPRL1 72/4885KCNH2 565/4885HDAC1 3153/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C OPRL1 60/4885KCNH2 158/4885HDAC1 278/4885

“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.