SCHEMBL3501796

SCHEMBL3501796

O=C(c1ccc(-c2ccc(F)cn2)cc1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PTPN1 P18031 2/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
HSD11B1 P28845 7/20 0.47
RAB9A P51151 1/20 0.45
PTPN2 P17706 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MCHR1 Q99705 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL14206840 0.83 NPC1 (0.50) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL26571653 0.79 NPC1 (0.65) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL20023719 0.78 LDHA (0.65) NPC1RXFP1PTPN1PTPN2MCHR1
SCHEMBL30446184 0.78 LDHA (0.65) NPC1RXFP1PTPN1PTPN2MCHR1
SCHEMBL3501759 0.78 NPC1 (0.59) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL31164032 0.78 HSD11B1 (0.68) HSD11B1KDM4EPOLBGAAHTR2A
SCHEMBL662115 0.78 HSD11B1 (0.68) HSD11B1KDM4EPOLBGAAHTR2A
SCHEMBL3502067 0.78 NPC1 (0.63) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL3500766 0.77 NPC1 (0.58) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL16595344 0.76 NPC1 (0.61) NPC1RXFP1PTPN1PTPN6PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
EP-2091937-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-26 EP disclosed
WO-2008051406-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 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-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators BRS3, INSR, INSRR NPC1 1685/4885RXFP1 131/4885PTPN1 3036/4885

“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.