SCHEMBL6804576

SCHEMBL6804576

Cc1nnc(-c2cc3c(OC[C@H](O)CN4CCC(c5ccc6c(c5)CCO6)CC4)cccc3o2)o1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
HTR1A P08908 14/20 0.38
SLC6A4 P31645 2/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL14571591 1.00 CCR1 (0.44) CCR1HTR1ASLC6A4DRD4LMNA
Bromide SCHEMBL5584450 0.99 CCR1 (0.43) CCR1HTR1ASLC6A4DRD4LMNA
Hydrochloric Acid SCHEMBL5584208 0.99 CCR1 (0.43) CCR1HTR1ASLC6A4LMNANPY1R
SCHEMBL14571596 0.96 CCR1 (0.43) CCR1HTR1ASLC6A4DRD4
Hydrochloric Acid SCHEMBL5584410 0.95 CCR1 (0.43) CCR1HTR1ASLC6A4LMNANPY1R
SCHEMBL5584439 0.94 CCR1 (0.42) CCR1HTR1ASLC6A4DRD4CYP1A2
SCHEMBL14571567 0.92 CCR1 (0.44) CCR1HTR1ASLC6A4DRD4CYP1A2
SCHEMBL14571593 0.92 CCR1 (0.40) CCR1HTR1ASLC6A4CYP1A2CYP2C19
SCHEMBL14571594 0.92 CCR1 (0.40) CCR1HTR1ASLC6A4DRD4CYP1A2
Bromide SCHEMBL6801761 0.91 CCR1 (0.40) CCR1HTR1ASLC6A4DRD4CYP1A2

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-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CCR1 2772/4885HTR1A 1/4885SLC6A4 10/4885

“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.