SCHEMBL810091

SCHEMBL810091

COc1ccc(CCc2ccc(C)cc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.49
▸ CYP19A1 P11511 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46
▸ TUBA1C Q9BQE3 1/20 0.46
▸ TUBB6 Q9BUF5 1/20 0.46
▸ TUBB2B Q9BVA1 1/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.46
▸ CSF1R P07333 1/20 0.45
▸ NTRK2 Q16620 1/20 0.45

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
SCHEMBL225865 0.88 TAAR1 (0.53) TAAR1CYP19A1MAPTTUBB4ATUBB
SCHEMBL25161712 0.86 TAAR1 (0.48) TAAR1CYP19A1ALDH1A1CYP3A4RAB9A
SCHEMBL21722570 0.85 ALDH1A1 (0.46) MAPTALDH1A1CYP3A4ACHERAB9A
SCHEMBL3251668 0.85 CYP19A1 (0.57) TAAR1CYP19A1MAPTTUBB4ATUBB
Hydrochloric Acid SCHEMBL3249498 0.84 CYP19A1 (0.56) TAAR1CYP19A1MAPTTUBB4ATUBB
SCHEMBL5252467 0.80 TDP1 (0.56) TAAR1ALDH1A1CYP3A4RAB9A
SCHEMBL13038170 0.78 ACHE (0.71) TAAR1MAPTTUBB4ATUBBTUBA3C
SCHEMBL6226356 0.78 ABCB1 (0.56) TAAR1CYP19A1TUBB4ATUBBTUBA3C
SCHEMBL3245628 0.76 CYP1A2 (0.50) TAAR1CYP19A1MAOBACHERAB9A
SCHEMBL9657960 0.75 LTA4H (0.46) ALDH1A1CYP3A4ACHERAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 — — EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 — — US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 — — EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 — — US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 — — US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 — — EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 — — WO disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 — — EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 — — US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 — — 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 (2 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TAAR1 4610/4885CYP19A1 3339/4885MAPT 1347/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TAAR1 4610/4885CYP19A1 3339/4885MAPT 1347/4885

“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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