SCHEMBL5879102

SCHEMBL5879102

CN(C)CCC(C#N)c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.39
HTR2A P28223 2/20 0.39
ESR2 Q92731 5/20 0.35
ESR1 P03372 4/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
CHRM2 P08172 2/20 0.31
SCN1A P35498 2/20 0.31
SCN2A Q99250 2/20 0.31
SCN3A Q9NY46 2/20 0.31
PYCR1 P32322 1/20 0.31
CYP2D6 P10635 2/20 0.31
NFKB1 P19838 2/20 0.31

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
SCHEMBL11229227 0.83 CHRM2 (0.46) HRH1HTR2ACYP2C9SLC6A2SLC6A4
SCHEMBL9324845 0.82 HTR2A (0.60) HRH1HTR2AALDH1A1CYP1A2SLC6A2
SCHEMBL23197244 0.79 HRH1 (0.39) HRH1HTR2ACYP2C9CYP3A4CYP2C19
SCHEMBL11233068 0.78 UTS2R (0.39) ALDH1A1KMT2APYCR1
SCHEMBL5879107 0.78 MAPT (0.40) HRH1HTR2ACYP2C9SLC6A2SLC6A4
SCHEMBL11237768 0.78 UTS2R (0.40) HRH1HTR2A
SCHEMBL4731821 0.73 HTR2A (0.42) HRH1HTR2A
SCHEMBL10573183 0.72 HTR2A (0.62) HRH1HTR2AALDH1A1CYP1A2SLC6A2
SCHEMBL5879335 0.68 ESR1 (0.37) ESR2ESR1CYP2C9MEN1ALDH1A1
SCHEMBL5879161 0.68 ESR1 (0.37) ESR2ESR1CYP2C9MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100537527-C Aryl and biaryl compounds having MCH modulatory activity PHARMACOPEIA INC (US) 2009-09-09 CN disclosed
US-7034056-B2 Aryl and biaryl compounds having MCH modulatory activity PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-04-25 US disclosed
CN-1498205-A Aryl and biaryl compounds having MCH modulatory activity �����Ƥ�� 2004-05-19 CN disclosed
EP-1370520-A1 ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2003-12-17 EP disclosed
US-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity SCHERING CORPORATION 2003-05-15 US disclosed
WO-2002076929-A1 ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2002-10-03 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 (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-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity MCHR1, MCHR2, MC3R HRH1 156/4885HTR2A 44/4885ESR2 532/4885

“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.