SCHEMBL4841009

SCHEMBL4841009

C[C@@H]1CN(Cc2ccccc2)CCN1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.58
SIGMAR1 Q99720 3/20 0.57
ACHE P22303 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HRH2 P25021 1/20 0.51
CHRM1 P11229 1/20 0.49
CCR3 P51677 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL13134624 1.00 MC4R (0.58) MC4RSIGMAR1ACHEALDH1A1CYP1A2
Formamide SCHEMBL11158316 0.91 MC4R (0.49) MC4RSIGMAR1ACHEALDH1A1CYP1A2
SCHEMBL17763481 0.85 ACHE (0.67) MC4RSIGMAR1ACHEALDH1A1LMNA
SCHEMBL17763482 0.85 ACHE (0.67) MC4RSIGMAR1ACHEALDH1A1LMNA
SCHEMBL30361406 0.83 LMNA (0.60) MC4RSIGMAR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5064520 0.83 CCR1 (0.50) ACHEDRD4
SCHEMBL5692251 0.83 HRH2 (0.66) MC4RSIGMAR1ACHECYP2D6CYP2C19
SCHEMBL20284487 0.83 HRH2 (0.66) MC4RSIGMAR1ACHECYP2D6CYP2C19
SCHEMBL14528083 0.83 HRH2 (0.66) MC4RSIGMAR1ACHECYP2D6CYP2C19
SCHEMBL25154769 0.81 SIGMAR1 (0.55) MC4RSIGMAR1ACHEALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345042-B2 MCH antagonists for the treatment of obesity SCHERING CORPORATION (US) 2008-03-18 US disclosed
US-20050004121-A1 MCH antagonists for the treatment of obesity SCHERING CORPORATION 2005-01-06 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-20050004121-A1 MCH antagonists for the treatment of obesity MCHR1, MCHR2, MC4R MC4R 3/4885SIGMAR1 289/4885ACHE 2904/4885

“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.