SCHEMBL19699039

SCHEMBL19699039

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccnc2)[C@H]2CCN3C2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 11/20 0.46
▸ HTR2A P28223 10/20 0.46
▸ GAA P10253 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNA1I Q9P0X4 1/20 0.40
▸ CSF1R P07333 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ USP2 O75604 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
SCHEMBL19699063 0.95 HTR2A (0.44) HTR2CHTR2AGAACACNA1GCACNA1H
SCHEMBL19699052 0.95 HTR2A (0.44) HTR2CHTR2AGAACACNA1GCACNA1H
SCHEMBL17618428 0.90 TSHR (0.46) HTR2CHTR2ACSF1RABL1BCR
SCHEMBL17618706 0.89 HTR2C (0.41) HTR2CHTR2AALDH1A1MAPT
SCHEMBL19689778 0.89 HTR2C (0.41) HTR2CHTR2AALDH1A1MAPT
SCHEMBL19699058 0.88 USP2 (0.35) HTR2CHTR2AMAPTUSP2
SCHEMBL17618492 0.88 ABL1 (0.42) HTR2CHTR2AABL1BCRALDH1A1
SCHEMBL19669061 0.88 LIMK2 (0.36) HTR2CHTR2AMAPTUSP2
SCHEMBL17618354 0.88 HTR2C (0.48) HTR2CHTR2ACSF1RALDH1A1
SCHEMBL17618479 0.88 THRB (0.42) HTR2CHTR2ACACNA1GCACNA1HCACNA1I

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2A 4386/4885GAA 1368/4885

“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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