SCHEMBL4893032

SCHEMBL4893032

CCCCCC(C)(CCCCC)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 14/20 0.43
GNAI3 P08754 13/20 0.43
GNAI1 P63096 13/20 0.43
SIGMAR1 Q99720 2/20 0.33

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
SCHEMBL18649667 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL19226663 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL18431542 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL18993485 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL19485353 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL19302473 0.96 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL21524575 0.96 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL21166114 0.94 GNAO1 (0.43) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL24908399 0.92 GNAO1 (0.41) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL21499826 0.91 SIGMAR1 (0.38) GNAO1GNAI3GNAI1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139522-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2021-05-13 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 US disclosed
US-7423154-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2008-09-09 US disclosed
US-7045625-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-20060074238-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2006-04-06 US disclosed
US-20040077861-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2004-04-22 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 (5 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-20060074238-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates SRM, SULT2A1, PNMT GNAO1 3273/4885GNAI3 1712/4885GNAI1 1560/4885
US-20210139522-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CFTR, ABCB11, CEL GNAO1 3970/4885GNAI3 1611/4885GNAI1 1773/4885
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 GNAO1 1493/4885GNAI3 1813/4885GNAI1 1607/4885
US-20040077861-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates SRM, SULT2A1, PNMT GNAO1 3273/4885GNAI3 1712/4885GNAI1 1560/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB GNAO1 2346/4885GNAI3 2843/4885GNAI1 2792/4885

“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.