SCHEMBL18057404

SCHEMBL18057404

CC(C)(O)c1cc2ccc(N3CCC(N)C3)nc2n2c1nc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.39
▸ HRH4 Q9H3N8 8/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ OPRM1 P35372 3/20 0.36
▸ OPRD1 P41143 3/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ OGFRL1 Q5TC84 3/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MCHR1 Q99705 1/20 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
SCHEMBL18057400 0.94 MAP4K4 (0.39) PDE10AHRH4DPP4PIM1PIM3
SCHEMBL23160982 0.87 DPP4 (0.41) PDE10AHRH4HRH3DPP4DPP8
SCHEMBL18057407 0.87 PDE10A (0.42) PDE10AHRH4HRH3MCHR1
SCHEMBL19365030 0.85 SMN1; SMN2 (0.41) PDE10AKDM4EALDH1A1NPC1TP53
SCHEMBL20078425 0.85 MKNK1 (0.46) HRH4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL18057396 0.83 HTR3A (0.48) HRH4HRH3KDM4EALDH1A1
SCHEMBL18057398 0.82 PDE10A (0.37) PDE10AOPRM1OPRK1KDM4EALDH1A1
SCHEMBL23160988 0.81 DPP4 (0.38) DPP4DPP8DPP9DPP7PIM1
SCHEMBL20078427 0.79 CAMK1D (0.43) MKNK1MKNK2
SCHEMBL17255017 0.79 HRH4 (0.44) PDE10AHRH4HRH3KDM4EALDH1A1

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-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2020-11-19 — — US disclosed
US-10745403-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-08-18 — — US disclosed
US-10590134-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-03-17 — — US disclosed
US-10442801-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2019-10-15 — — US disclosed
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2018-03-22 — — US disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — 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-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 PDE10A 1165/4885HRH4 4546/4885HRH3 4489/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PDE10A 848/4885HRH4 4586/4885HRH3 4527/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885HRH4 4546/4885HRH3 4489/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PDE10A 848/4885HRH4 4586/4885HRH3 4527/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885HRH4 4546/4885HRH3 4489/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885HRH4 4546/4885HRH3 4489/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PDE10A 848/4885HRH4 4586/4885HRH3 4527/4885

“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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