SCHEMBL17192145

SCHEMBL17192145

C=C1CCCc2c(Br)cccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
PIM1 P11309 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK5 Q00535 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
GID4 Q8IVV7 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL30421702 0.88 PARP10 (0.47) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL19030776 0.88 PARP10 (0.47) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL1662215 0.76 BCL2L1 (0.48) KDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL12657972 0.76 PARP1 (0.44) KDM4EHSD17B10ALDH1A1GID4
SCHEMBL26714211 0.76 MAPT (0.42) HSD17B10ALDH1A1MAPK1
SCHEMBL24459353 0.76 SRD5A1 (0.39) MAPK1
SCHEMBL1661783 0.76 PARP10 (0.53) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL29514736 0.76 PARP10 (0.53) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL12434026 0.76
SCHEMBL29915111 0.74 PIM1 (0.38) PARP10PARP11PIM1CSNK1A1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
EP-3860714-B1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS INC (US) 2023-09-06 EP disclosed
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2023-02-23 US disclosed
EP-3601290-B1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS INC (US) 2021-11-24 EP disclosed
US-20200383993-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-10624900-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
WO-2020072835-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2020-04-09 WO disclosed
US-10272094-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2019-04-30 US disclosed
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2018-08-02 US disclosed
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2015-10-22 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 (8 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-10624900-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 PARP10 1085/4885PARP11 1496/4885PIM1 4659/4885
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 PARP10 1085/4885PARP11 1496/4885PIM1 4659/4885
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 PARP10 2284/4885PARP11 1397/4885PIM1 1431/4885
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 PARP10 3307/4885PARP11 3367/4885PIM1 4811/4885
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A PARP10 3938/4885PARP11 4308/4885PIM1 4867/4885
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 PARP10 1085/4885PARP11 1496/4885PIM1 4659/4885
US-10272094-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 PARP10 1085/4885PARP11 1496/4885PIM1 4659/4885
US-20200383993-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 PARP10 1085/4885PARP11 1496/4885PIM1 4659/4885

“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.