SCHEMBL20026332

SCHEMBL20026332

CO[C@H](c1ccc(-c2ccc(CN)cc2)cc1)[C@H](N)CF

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.44
▸ TAAR1 Q96RJ0 3/20 0.39
▸ BACE1 P56817 2/20 0.34
▸ MAOB P27338 5/20 0.33
▸ LOXL2 Q9Y4K0 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ SLC6A4 P31645 1/20 0.31
▸ LTA4H P09960 1/20 0.31

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
SCHEMBL15628455 0.95 LOXL2 (0.36) HRH3MAOBLOXL2CYP1A2CYP2D6
SCHEMBL20026348 0.86 ERN1 (0.33) CYP1A2CYP2D6CYP2C19
SCHEMBL19063250 0.82 TSHR (0.39) TAAR1CYP1A2CYP2D6CYP2C19SLC6A4
SCHEMBL20026377 0.81 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19
SCHEMBL15628463 0.81 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19LTA4H
SCHEMBL19062812 0.81 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19LTA4H
SCHEMBL19062561 0.80 ATM (0.35) CYP2A6
SCHEMBL17490437 0.80 ATM (0.35) CYP2A6
SCHEMBL19062433 0.78 ALDH1A1 (0.34) MAOBCYP1A2CYP2D6CYP2C19
SCHEMBL20026227 0.78 TDP1 (0.34) CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 — — 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 (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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP HRH3 406/4885TAAR1 2916/4885BACE1 4325/4885

“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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