SCHEMBL17255017

SCHEMBL17255017

CN1CCCN(c2ccc3cc(C(C)(C)O)c4nc5ccccc5n4c3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.44
▸ HTR3A P46098 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTR3E A5X5Y0 2/20 0.44
▸ HTR3B O95264 2/20 0.44
▸ HTR3D Q70Z44 2/20 0.44
▸ HTR3C Q8WXA8 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ PARP1 P09874 1/20 0.36

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
SCHEMBL18057396 0.96 HTR3A (0.48) HRH4HTR3AKDM4EALDH1A1HTR3E
SCHEMBL19365030 0.82 SMN1; SMN2 (0.41) KDM4EALDH1A1PDE10AKMT2A
SCHEMBL18057557 0.82 KDM4E (0.45) HRH4HTR3AKDM4EALDH1A1HTR3E
SCHEMBL30287945 0.82 KDM4E (0.47) HRH4HTR3AKDM4EALDH1A1HTR3E
SCHEMBL17254907 0.82 KDM4E (0.47) HRH4HTR3AKDM4EALDH1A1HTR3E
SCHEMBL23160983 0.82 HRH4 (0.51) HRH4HTR3AKDM4EALDH1A1HTR3E
SCHEMBL18057400 0.82 MAP4K4 (0.39) HRH4PDE10A
SCHEMBL19365204 0.81 ALDH1A1 (0.41) HRH4HTR3AKDM4EALDH1A1HTR3E
SCHEMBL18042582 0.81 PARP1 (0.45) HRH4HTR3AKDM4EALDH1A1HTR3E
SCHEMBL31403254 0.81 PARP1 (0.45) HRH4HTR3AKDM4EALDH1A1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-04-01 — — US disclosed
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-9951066-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2018-04-24 — — US disclosed
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2018-03-22 — — US disclosed
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2017-11-23 — — US disclosed
EP-3219716-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM Pimera, Inc. (US) 2017-09-20 — — EP 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
WO-2015172123-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM HADDACH MUSTAPHA (US) 2015-11-12 — — 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 (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-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 HRH4 4546/4885HTR3A 4237/4885KDM4E 2839/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 HRH4 4586/4885HTR3A 4002/4885KDM4E 2323/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885HTR3A 4237/4885KDM4E 2839/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 HRH4 4586/4885HTR3A 4002/4885KDM4E 2323/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885HTR3A 4237/4885KDM4E 2839/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885HTR3A 4237/4885KDM4E 2839/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885HTR3A 4237/4885KDM4E 2839/4885
US-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885HTR3A 4237/4885KDM4E 2839/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 HRH4 4586/4885HTR3A 4002/4885KDM4E 2323/4885

“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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