Sugi Predict

Sugi Predict / Compounds / SCHEMBL314766

SCHEMBL314766

SCHEMBL314766

Cc1nnc(N2CCC(C)(C(=O)NC(C)C)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ RPS6KB1 P23443 3/20 0.37
▸ AKT1 P31749 6/20 0.36
▸ ROCK2 O75116 3/20 0.35
▸ AKT2 P31751 3/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ AKT3 Q9Y243 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ AVPR1A P37288 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
SCHEMBL316202 0.87 TRPA1 (0.41) DRD2DRD4CNR1CNR2KCNH2
SCHEMBL315524 0.80 OPRM1 (0.46) ALDH1A1GAAMAPTHTT
SCHEMBL315251 0.73 TRPA1 (0.46) ALDH1A1TRPA1TRPM8MAPTHTT
SCHEMBL315782 0.72 CNR1 (0.54) CNR1CNR2KCNH2TRPA1TRPM8
SCHEMBL315925 0.72 NPY5R (0.44) CNR1CNR2TRPA1TRPM8AVPR1A
SCHEMBL315737 0.71 NOTUM (0.56) TRPA1TRPM8MAPTHTTAVPR1A
SCHEMBL5155966 0.70 AVPR1A (0.48) CNR1CNR2TRPA1TRPM8BRD4
SCHEMBL5815630 0.70 MAPK1 (0.35) DRD2DRD4ALDH1A1MAPTBRD4
SCHEMBL8285404 0.70 ADRB1 (0.56) TRPA1TRPM8BRD4AVPR1A
SCHEMBL5158518 0.70 HTT (0.43) CNR1CNR2ALDH1A1TRPA1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 — — US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 — — US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 — — US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 — — US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 — — US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 — — US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 — — US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 — — US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 — — US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 — — 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 DRD2 524/4885DRD4 596/4885CNR1 37/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 DRD2 661/4885DRD4 1092/4885CNR1 102/4885

“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.