SCHEMBL17618622

SCHEMBL17618622

O=C(Nc1cccnc1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.45
▸ HTR2A P28223 6/20 0.45
▸ TRPV1 Q8NER1 1/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ HTR2B P41595 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ IDH2 P48735 2/20 0.39
▸ GHSR Q92847 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL17618753 0.95 HTR2C (0.46) HTR2CHTR2ATRPV1CYP1A2HTR2B
SCHEMBL19365515 0.92 HTR2C (0.47) HTR2CHTR2ATRPV1CYP1A2HTR2B
SCHEMBL17624590 0.92 HTR2C (0.47) HTR2CHTR2ATRPV1CYP1A2HTR2B
SCHEMBL16250014 0.92 HTR2C (0.47) HTR2CHTR2ATRPV1CYP1A2HTR2B
SCHEMBL16754349 0.91 SCN10A (0.38) HTR2CHTR2APIM2IDH2
SCHEMBL17618636 0.90 SCN10A (0.39) HTR2CHTR2AHTR2BIDH2
SCHEMBL17618673 0.89 PIM3 (0.47) HTR2CHTR2ATRPV1CYP1A2HTR2B
SCHEMBL17618725 0.88 ALDH1A1 (0.43) HTR2CHTR2AMAPTALDH1A1PIM3
SCHEMBL19706085 0.88 HTR2A (0.42) HTR2CHTR2AMAPTALDH1A1PIM3
SCHEMBL17618637 0.88 FAAH (0.40) HTR2CHTR2AHTR2BPIM3PIM2

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
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4649/4885HTR2A 4359/4885TRPV1 4249/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2A 4386/4885TRPV1 3670/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2A 4386/4885TRPV1 3670/4885

“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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