SCHEMBL3692425

SCHEMBL3692425

NCC1CNc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.42
CCKBR P32239 2/20 0.42
RET P07949 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
IDO1 P14902 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AKT1 P31749 1/20 0.35
HRH2 P25021 1/20 0.34
OPRM1 P35372 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL11473137 0.85 IDO1 (0.45) HTR2ACCKBRHRH1IDO1AKT1
SCHEMBL29558888 0.85 IDO1 (0.45) HTR2ACCKBRHRH1IDO1AKT1
SCHEMBL19149276 0.82 HTR2A (0.45) HTR2ACCKBRHRH1IDO1AKT1
SCHEMBL3693863 0.81 BCHE (0.44) HTR2ACCKBRRETHTR2CHRH1
SCHEMBL12141050 0.80 CCKBR (0.42) HTR2ACCKBRHTR2CHRH2OPRM1
SCHEMBL550107 0.80 CCKBR (0.42) CCKBRAKT1HRH2OPRM1HTR2B
SCHEMBL12013752 0.80 CCKBR (0.42) HTR2ACCKBRHTR2CHRH2OPRM1
SCHEMBL6630128 0.80 CCKBR (0.42) CCKBRMEN1KMT2AAKT1HRH2
SCHEMBL1118519 0.80 CCKBR (0.42) HTR2ACCKBRHTR2CHRH2OPRM1
SCHEMBL5536820 0.80 CCKBR (0.42) CCKBRMEN1KMT2AAKT1HRH2

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
CN-117624179-A 3- (amino) methylene indoline derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2024-03-01 CN claimed
CN-117624179-A 3- (amino) methylene indoline derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2024-03-01 CN disclosed
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
CN-101304989-A Carbocyclic fused cyclic amines as inhibitors of the coagulation factor XA HOFFMANN LA ROCHE (CH) 2008-11-12 CN disclosed
EP-1948639-A2 NOVEL CARBOCYCLIC FUSED CYCLIC AMINES F. Hoffmann-la Roche AG (CH) 2008-07-30 EP disclosed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 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 (2 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 HTR2A 1196/4885CCKBR 119/4885RET 2150/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 HTR2A 1196/4885CCKBR 119/4885RET 2150/4885

“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.