SCHEMBL24192175

SCHEMBL24192175

CNCc1ccc2c(c1)CC(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.51
▸ SMYD3 Q9H7B4 4/20 0.48
▸ MAOB P27338 3/20 0.48
▸ GRIA1 P42261 2/20 0.47
▸ CACNG8 Q8WXS5 2/20 0.47
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ PDK2 Q15119 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ PGR P06401 3/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ ADRA1A P35348 1/20 0.42

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
SCHEMBL27287355 0.83 AHR (0.47) AHRSMYD3MAOBGRIA1CACNG8
SCHEMBL578518 0.81 AHR (0.56) AHRSMYD3MAOBGRIA1CACNG8
SCHEMBL7121335 0.81 AHR (0.56) AHRSMYD3MAOBGRIA1CACNG8
SCHEMBL8670836 0.81 AHR (0.59) AHRSMYD3MAOBGRIA1CACNG8
SCHEMBL29856373 0.79 SMYD3 (0.53) AHRSMYD3MAOB
SCHEMBL7349900 0.79 AHR (0.53) AHRSMYD3MAOBGRIA1CACNG8
SCHEMBL260951 0.78 AHR (0.56) AHRSMYD3MAOBGRIA1CACNG8
SCHEMBL1681854 0.78 AHR (0.56) AHRSMYD3MAOBGRIA1CACNG8
SCHEMBL9435130 0.78 AHR (0.56) AHRSMYD3MAOBGRIA1CACNG8
SCHEMBL22636513 0.78 AHR (0.56) AHRSMYD3MAOBGRIA1CACNG8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 — — US disclosed
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 — — US disclosed
US-11684674-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2023-06-27 — — US disclosed
WO-2022011123-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-01-13 — — WO disclosed
US-20170231979-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-08-17 — — US disclosed
US-20170020855-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-01-26 — — US disclosed
US-20160310558-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2016-10-27 — — US disclosed
US-9321810-B2 Uses of kappa opioid synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2016-04-26 — — US disclosed
US-20150272927-A1 METHODS AND COMPOSITIONS FOR TREATING VASOMOTOR SYMPTOMS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2015-10-01 — — US disclosed
US-20150152138-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2015-06-04 — — US disclosed
US-8906859-B2 Uses of kappa opioid synthetic peptide amides Cera Therapeutics, Inc. (US) 2014-12-09 — — US disclosed
US-8486894-B2 Synthetic peptide amides and dimeric forms thereof CARA THERAPEUTICS, INC. (US) 2013-07-16 — — US disclosed
US-20110212882-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2011-09-01 — — US disclosed
US-20110118186-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2011-05-19 — — 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 (9 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-20150152138-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES OPRK1, OGFR, MMP13 AHR 1003/4885SMYD3 2190/4885MAOB 2105/4885
US-20150272927-A1 METHODS AND COMPOSITIONS FOR TREATING VASOMOTOR SYMPTOMS VASP, PDE3A, PDE2A AHR 4251/4885SMYD3 1421/4885MAOB 83/4885
US-20110118186-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRM1, OPRL1 AHR 220/4885SMYD3 4820/4885MAOB 275/4885
US-20170231979-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A AHR 4251/4885SMYD3 1421/4885MAOB 83/4885
US-20160310558-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES OPRK1, OGFR, MMP13 AHR 1003/4885SMYD3 2190/4885MAOB 2105/4885
US-11684674-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR AHR 2632/4885SMYD3 3743/4885MAOB 2044/4885
US-20170020855-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A AHR 4251/4885SMYD3 1421/4885MAOB 83/4885
US-20230257396-A1 MACROCYCLES AND THEIR USE VHL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DLD AHR 574/4885SMYD3 3822/4885MAOB 2033/4885
US-20110212882-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES OPRK1, OGFR, MMP13 AHR 967/4885SMYD3 2181/4885MAOB 1810/4885

“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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