SCHEMBL3776735

SCHEMBL3776735

O=C(Nc1cccc(C(=O)NC2CCCCCC2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.62
HTR2B P41595 1/20 0.62
RHOC P08134 1/20 0.62
RHOA P61586 1/20 0.62
EPHX2 P34913 1/20 0.60
P2RX1 P51575 2/20 0.57
PTGS1 P23219 1/20 0.56
MAPT P10636 1/20 0.55
KCNK3 O14649 1/20 0.55
LMNA P02545 2/20 0.54
ANO1 Q5XXA6 1/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL4244008 0.84 TAS1R3 (0.70) HTR2BEPHX2LMNARAB9ANPC1
SCHEMBL3771553 0.82 KCNK3 (0.63) HTR2BEPHX2PTGS1KCNK3
SCHEMBL1534374 0.81 RHOC (0.71) RHOCRHOAP2RX1PTGS1MAPT
SCHEMBL13973019 0.80 HTR2B (0.62) HTR2BKCNK3LMNAANO1RAB9A
SCHEMBL24166611 0.79 NPC1 (0.62) HTR2BEPHX2LMNAANO1RAB9A
SCHEMBL2472548 0.78 MEN1 (0.70) P2RX1PTGS1MAPTKCNK3LMNA
SCHEMBL3777230 0.78 ALDH1A1 (0.63) HTR2BRAB9ANPC1PKMALOX15
SCHEMBL15460609 0.78 MAPT (0.60) ACKR3EPHX2P2RX1PTGS1MAPT
SCHEMBL3764424 0.78 HTR2B (0.63) ACKR3HTR2BMAPTLMNAANO1
SCHEMBL15530059 0.78 RXFP1 (0.71) ACKR3EPHX2P2RX1PTGS1MAPT

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 ACKR3 1463/4885HTR2B 2255/4885RHOC 4277/4885

“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.