SCHEMBL14029983

SCHEMBL14029983

Cc1ccnc(NCC(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.54
HRH3 Q9Y5N1 9/20 0.54
NUDT1 P36639 1/20 0.49
NPSR1 Q6W5P4 1/20 0.45
CHRNA7 P36544 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL91472 0.84 CDK4 (0.46) HRH4HRH3NPSR1MAPTCYP2C9
SCHEMBL17700502 0.81 NPSR1 (0.42) HRH4HRH3NPSR1MAPTCYP2C9
SCHEMBL16844971 0.80 HRH4 (0.52) HRH4HRH3NUDT1CHRNA7
SCHEMBL9169741 0.80 HRH4 (0.52) HRH4HRH3NUDT1CHRNA7
SCHEMBL91473 0.79 NPSR1 (0.49) NPSR1MAPTCYP2C9MAPK1
SCHEMBL12932877 0.77 HRH4 (0.50) HRH4HRH3NUDT1MAPT
SCHEMBL12933710 0.77 HRH4 (0.50) HRH4HRH3NUDT1CHRNA7
SCHEMBL14004971 0.77 HRH4 (0.50) HRH4HRH3NUDT1CHRNA7
SCHEMBL12933372 0.76 KMT2A (0.52) NUDT1MAPTMAPK1
SCHEMBL9278638 0.76 ALDH1A1 (0.54) HRH4HRH3NUDT1

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-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2020-06-30 US disclosed
US-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2018-08-02 US disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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 (4 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 HRH4 669/4885HRH3 1204/4885NUDT1 2977/4885
US-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES APP, BACE1, PSEN1 HRH4 1927/4885HRH3 2402/4885NUDT1 2763/4885
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HRH4 1565/4885HRH3 1439/4885NUDT1 2462/4885
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives APP, BACE1, PSEN1 HRH4 1927/4885HRH3 2402/4885NUDT1 2763/4885

“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.