SCHEMBL7621097

SCHEMBL7621097

COc1cc2c(cc1OC)C(c1ccccc1)CN(C(=O)NC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ ADAM17 P78536 1/20 0.54
▸ MTNR1B P49286 8/20 0.51
▸ TRPV1 Q8NER1 1/20 0.51
▸ MTNR1A P48039 1/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HCRTR1 O43613 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
SCHEMBL9616978 0.81 CYP3A4 (0.57) CYP3A4CYP2D6ADAM17MTNR1BTRPV1
SCHEMBL7626318 0.78 CYP3A4 (0.53) CYP3A4CYP2D6ADAM17MTNR1BTRPV1
SCHEMBL7627140 0.76 CYP3A4 (0.51) CYP3A4CYP2D6ADAM17MTNR1BTRPV1
SCHEMBL7625282 0.75 CYP3A4 (0.49) CYP3A4CYP2D6ADAM17MTNR1BTRPV1
SCHEMBL7626298 0.74 CYP3A4 (0.56) CYP3A4CYP2D6ADAM17TRPV1NPC1
Trepipam SCHEMBL11704977 0.74 CYP2D6 (1.00) CYP3A4CYP2D6KDM4ETSHRHSD17B10
Trepipam SCHEMBL29374758 0.74 CYP2D6 (1.00) CYP3A4CYP2D6KDM4ETSHRHSD17B10
SCHEMBL7620240 0.74 CYP3A4 (0.48) CYP3A4CYP2D6ADAM17MTNR1BTRPV1
Trepipam SCHEMBL29401068 0.74 CYP2D6 (0.82) CYP3A4CYP2D6TRPV1KDM4ETSHR
SCHEMBL10746034 0.73 CYP3A4 (0.56) CYP3A4CYP2D6ADAM17MTNR1BTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020019389-A1 Urea derivative useful as an anti-cancer agent and process for preparing same CHACONNE NSI CO., LTD. (KR) 2002-02-14 — — US claimed
US-20020019389-A1 Urea derivative useful as an anti-cancer agent and process for preparing same CHACONNE NSI CO., LTD. (KR) 2002-02-14 — — 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-20020019389-A1 Urea derivative useful as an anti-cancer agent and process for preparing same UTS2R, SLC14A1, URB2 CYP3A4 1639/4885CYP2D6 1945/4885ADAM17 4595/4885

“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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