SCHEMBL6328191

SCHEMBL6328191

OCCOc1ccc(Cc2ncc[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 6/20 0.56
▸ CYP3A4 P08684 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CCNK O75909 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ LTA4H P09960 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
SCHEMBL14599591 0.83 TAAR1 (0.62) TAAR1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL13372830 0.81 TAAR1 (0.80) TAAR1CYP2D6ALDH1A1HTR1AADRA2A
SCHEMBL11706270 0.81 TAAR1 (0.59) TAAR1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL11702483 0.81 PLA2G2A (0.57) TAAR1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL10852193 0.79 TAAR1 (0.57) TAAR1ALDH1A1SMN1; SMN2
SCHEMBL10621971 0.79 TAAR1 (0.61) TAAR1CYP2D6ALDH1A1HTR1ALTA4H
SCHEMBL10674026 0.79 TAAR1 (0.49) TAAR1ALDH1A1HTR1AGAASMN1; SMN2
SCHEMBL10945831 0.78 TAAR1 (0.51) TAAR1ALDH1A1HTR1AGAAL3MBTL1
Hydrochloric Acid SCHEMBL10854378 0.78 TAAR1 (0.55) TAAR1ALDH1A1SMN1; SMN2
SCHEMBL11477905 0.78 TAAR1 (0.59) TAAR1HTR1ALTA4HADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958353-B2 Imidazole derivatives or salts thereof and drugs containing the derivatives or the salts HISAMITSU MEDICAL CO., LTD. (JP) 2005-10-25 — — US disclosed
US-20030207896-A1 Imidazole derivatives or salts thereof and drugs containing the derivatives or the salts HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2003-11-06 — — US disclosed
EP-1295880-A1 IMIDAZOLE DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE DERIVATIVES OR THE SALTS SSP Co., Ltd. (JP) 2003-03-26 — — EP 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-20030207896-A1 Imidazole derivatives or salts thereof and drugs containing the derivatives or the salts IL6, NOS1, NOS2 TAAR1 1150/4885CYP3A4 80/4885CYP1A2 114/4885

“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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