SCHEMBL18057398

SCHEMBL18057398

C[C@@H]1CN(c2ccc3cc(C(C)(C)O)c4nc5ccccc5n4c3n2)C[C@H](C)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 8/20 0.37
▸ TP53 P04637 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ GAA P10253 2/20 0.32
▸ LMNA P02545 2/20 0.31
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL23160996 0.86 CDK4 (0.35) PDE10ATP53NPC1RAB9ASMN1; SMN2
SCHEMBL20078426 0.84 PTPN11 (0.40) PDE10ATP53NPC1RAB9ASMN1; SMN2
SCHEMBL19365030 0.83 SMN1; SMN2 (0.41) PDE10ATP53NPC1RAB9ASMN1; SMN2
SCHEMBL18057396 0.82 HTR3A (0.48) ALDH1A1KDM4ECYP1A2KMT2A
SCHEMBL18057404 0.82 PDE10A (0.39) PDE10ATP53NPC1RAB9ASMN1; SMN2
SCHEMBL18057407 0.81 PDE10A (0.42) PDE10ACYP2D6
SCHEMBL18057400 0.81 MAP4K4 (0.39) PDE10A
SCHEMBL17255024 0.80 TSHR (0.40) PDE10ASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL31403195 0.80 TSHR (0.40) PDE10ASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL17255017 0.79 HRH4 (0.44) PDE10AALDH1A1KDM4ECYP1A2KMT2A

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 1165/4885TP53 33/4885NPC1 1234/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PDE10A 848/4885TP53 23/4885NPC1 1273/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885TP53 33/4885NPC1 1234/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PDE10A 848/4885TP53 23/4885NPC1 1273/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885TP53 33/4885NPC1 1234/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885TP53 33/4885NPC1 1234/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PDE10A 848/4885TP53 23/4885NPC1 1273/4885

“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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