SCHEMBL18057396

SCHEMBL18057396

CN1CCN(c2ccc3cc(C(C)(C)O)c4nc5ccccc5n4c3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 7/20 0.48
▸ HRH4 Q9H3N8 6/20 0.48
▸ HTR3E A5X5Y0 3/20 0.48
▸ HTR3B O95264 3/20 0.48
▸ HTR3D Q70Z44 3/20 0.48
▸ HTR3C Q8WXA8 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ KMT2A Q03164 1/20 0.39
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL17255017 0.96 HRH4 (0.44) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL23160983 0.85 HRH4 (0.51) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL20078423 0.83 HTR3A (0.50) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL20057376 0.83 HTR3A (0.53) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL18057404 0.83 PDE10A (0.39) HRH4KDM4EALDH1A1HRH3
SCHEMBL18057398 0.82 PDE10A (0.37) KDM4EALDH1A1CYP1A2KMT2A
SCHEMBL19365030 0.82 SMN1; SMN2 (0.41) KDM4EALDH1A1KMT2A
SCHEMBL18057400 0.81 MAP4K4 (0.39) HRH4
SCHEMBL18057407 0.81 PDE10A (0.42) HRH4HRH3
SCHEMBL18042578 0.79 KDM4E (0.49) HTR3AHRH4HTR3EHTR3BHTR3D

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-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
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

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 HTR3A 4237/4885HRH4 4546/4885HTR3E 2808/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 HTR3A 4002/4885HRH4 4586/4885HTR3E 2458/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HTR3A 4237/4885HRH4 4546/4885HTR3E 2808/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 HTR3A 4002/4885HRH4 4586/4885HTR3E 2458/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HTR3A 4237/4885HRH4 4546/4885HTR3E 2808/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HTR3A 4237/4885HRH4 4546/4885HTR3E 2808/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 HTR3A 4002/4885HRH4 4586/4885HTR3E 2458/4885

“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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