SCHEMBL6898607

SCHEMBL6898607

[NH]C(Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.55
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
SLC6A4 P31645 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SLC6A2 P23975 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 2/20 0.39

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
SCHEMBL28926750 0.79 ACP3 (0.61) ACP3CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL4189468 0.78 ACP3 (0.55) ACP3CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL3283005 0.78 ACP3 (0.55) ACP3CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL6007985 0.77 ALDH1A1 (0.50) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL29090512 0.74 ACP3 (0.51) ACP3CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL10750280 0.74 ACP3 (0.51) ACP3CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL3048277 0.74 ACP3 (0.59) ACP3CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL7239903 0.74 ACP3 (0.51) ACP3CYP2C9CYP2C19ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL5028986 0.74 ACP3 (0.51) ACP3CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL2321827 0.73 ALDH1A1 (0.60) ACP3CYP2C9CYP2C19ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750255-B2 SUCH AS (R)-N-(1-(1'-NAPHTHYL)ETHYL)-2-(2',5'-DICHOROPHENYL THIO)ETHYLAMINE; FOR STIMULATION OF SECRETION OF PARATHYROID HORMONE NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20030176485-A1 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. 2003-09-18 US disclosed
US-20020107406-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-08-08 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-20030176485-A1 Calcium receptor active compounds CASR, CNR1, CALCR ACP3 2748/4885CYP2C9 1003/4885CYP2C19 1271/4885

“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.