SCHEMBL20004213

SCHEMBL20004213

CCCCCCC(CCCC)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 12/20 0.44
GNAI3 P08754 11/20 0.44
GNAI1 P63096 11/20 0.44
EPHX1 P07099 1/20 0.38
DNM1 Q05193 1/20 0.37

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
SCHEMBL23709640 1.00 GNAO1 (0.44) GNAO1GNAI3GNAI1EPHX1DNM1
SCHEMBL18922334 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL20626600 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL20004243 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL20093568 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL18557836 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL20306106 0.98 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL21703732 0.98 GNAO1 (0.42) GNAO1GNAI3GNAI1EPHX1
SCHEMBL19772438 0.94 GNAO1 (0.43) GNAO1GNAI3GNAI1EPHX1
SCHEMBL11280750 0.94 GNAO1 (0.40) GNAO1GNAI3GNAI1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-02-24 US disclosed
US-10722514-B2 Ubiquitin-specific-processing protease 7 (USP7) modulators and uses thereof RAPT THERAPEUTICS, INC. (US) 2020-07-28 US disclosed
US-20190142834-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2019-05-16 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 GNAO1 1898/4885GNAI3 485/4885GNAI1 433/4885
US-20190142834-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 GNAO1 4302/4885GNAI3 3239/4885GNAI1 3626/4885
US-10722514-B2 Ubiquitin-specific-processing protease 7 (USP7) modulators and uses thereof USP7, SENP7, USP8 GNAO1 4302/4885GNAI3 3239/4885GNAI1 3626/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 GNAO1 1925/4885GNAI3 2275/4885GNAI1 1343/4885
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REN, RDX, MC2R GNAO1 1154/4885GNAI3 1479/4885GNAI1 1146/4885

“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.