SCHEMBL16825796

SCHEMBL16825796

CN(CCc1ccc(Br)cc1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 10/20 0.53
▸ CHIT1 Q13231 9/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.42
▸ GRIN2B Q13224 1/20 0.41
▸ SLC6A2 P23975 4/20 0.39
▸ SLC6A4 P31645 4/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ CHI3L1 P36222 1/20 0.39
▸ CHI3L2 Q15782 1/20 0.39
▸ LSS P48449 1/20 0.38

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
SCHEMBL1242233 0.89 TAAR1 (0.60) CHIACHIT1TAAR1SIGMAR1GRIN2B
SCHEMBL3581153 0.84 GRIN2B (0.56) CHIATAAR1SIGMAR1GRIN2BSLC6A2
SCHEMBL7464765 0.82 GRIN2B (0.39) CHIACHIT1GRIN2BSLC6A2SLC6A4
SCHEMBL5650537 0.81 GRIN2B (0.41) CHIACHIT1GRIN2BSLC6A2SLC6A4
SCHEMBL548295 0.79 SLC6A4 (0.52) CHIACHIT1TAAR1SLC6A2SLC6A4
SCHEMBL3041474 0.79 GRIN2B (0.45) CHIAGRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL23580210 0.76 TACR1 (0.54) TAAR1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL27544721 0.75 GRIN2B (0.58) SIGMAR1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL29913509 0.75 SLC6A4 (0.55) CHIATAAR1SIGMAR1GRIN2BSLC6A2
SCHEMBL31016704 0.75 SLC6A4 (0.55) CHIATAAR1SIGMAR1GRIN2BSLC6A2

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
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — 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 (1 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC CHIA 2/4885CHIT1 11/4885TAAR1 954/4885

“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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