Sugi Predict

Sugi Predict / Compounds / SCHEMBL315249

SCHEMBL315249

SCHEMBL315249

CC(C)(C)OC(=O)N1CCC(c2nnc(CCl)o2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ THRB P10828 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RECQL P46063 1/20 0.42
▸ FAAH O00519 2/20 0.42
▸ GPR119 Q8TDV5 3/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL10189882 0.89 SMN1; SMN2 (0.58) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL8250610 0.87 SMN1; SMN2 (0.56) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL8283578 0.86 SMN1; SMN2 (0.55) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL16399632 0.86 SMN1; SMN2 (0.61) SMN1; SMN2THRBGAAMAPTKDM4E
Methylene Chloride SCHEMBL5781845 0.85 SMN1; SMN2 (0.52) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL10189883 0.85 SMN1; SMN2 (0.54) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL316694 0.83 SMN1; SMN2 (0.55) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL5217057 0.83 SMN1; SMN2 (0.52) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL314695 0.82 SMN1; SMN2 (0.58) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL14514081 0.82 SMN1; SMN2 (0.70) SMN1; SMN2THRBGAAMAPTKDM4E

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 32 patents — showing the first 20. 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-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 — — US disclosed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 — — EP disclosed
WO-2005068466-A1 COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2005-07-28 — — WO disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 — — WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 — — US disclosed
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis PFIZER INC 2004-09-23 — — US disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 — — WO disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 — — WO disclosed
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 — — US disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 — — WO disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 — — WO 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 (4 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-20040162278-A1 Triazole compounds useful in therapy AVPR2, AVPR1B, AVPR1A SMN1; SMN2 4688/4885THRB 79/4885GAA 3565/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 SMN1; SMN2 3508/4885THRB 694/4885GAA 4652/4885
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis CNR1, NR1H2, OXER1 SMN1; SMN2 1338/4885THRB 208/4885GAA 4000/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 SMN1; SMN2 4519/4885THRB 1583/4885GAA 2700/4885

“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.