SCHEMBL3176149

SCHEMBL3176149

C[C@@H]1CN(c2c[nH]c3cccnc23)CCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.52
GRM1 Q13255 9/20 0.42
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 1/20 0.42
LIMK2 P53671 2/20 0.41
SLC6A7 Q99884 2/20 0.40
CXCR3 P49682 1/20 0.40
SMO Q99835 1/20 0.39
CYP2C9 P11712 2/20 0.39
AVPR1A P37288 1/20 0.39
CHRM1 P11229 1/20 0.38

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
SCHEMBL3184309 1.00 CYP2C19 (0.52) CYP2C19GRM1CYP2D6CYP3A4LIMK2
SCHEMBL3178719 0.86 CYP2C19 (0.43) CYP2C19GRM1CYP2D6CYP3A4LIMK2
SCHEMBL3169124 0.86 CYP2C19 (0.43) CYP2C19GRM1CYP2D6CYP3A4LIMK2
SCHEMBL7980393 0.85 MAP4K4 (0.48) CYP2C19GRM1CYP2D6CYP3A4SLC6A7
SCHEMBL3185289 0.76 PRKCQ (0.42) CYP2C19
SCHEMBL16236002 0.75 GRM1 (0.64) CYP2C19GRM1CYP2D6CYP3A4SLC6A7
SCHEMBL3628431 0.73 FLT3 (0.47)
SCHEMBL3227404 0.73 ROCK1 (0.43) CYP2C19CYP3A4CYP2C9
SCHEMBL12100509 0.73 GRM1 (0.70) GRM1CYP3A4SLC6A7SMOCYP2C9
SCHEMBL4258836 0.72 TRPV1 (0.55) GRM1SLC6A7SMOAVPR1ACHRM1

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-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-21 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-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR3A CYP2C19 319/4885GRM1 121/4885CYP2D6 84/4885
US-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR1B CYP2C19 411/4885GRM1 105/4885CYP2D6 59/4885

“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.