Sugi Predict

Sugi Predict / Compounds / SCHEMBL6053104

SCHEMBL6053104

SCHEMBL6053104

CCCCCNc1nc(C)nc2c1CCCN2c1c(C)cc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 7/20 0.47
▸ ACHE P22303 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL6303475 0.99 CRHR1 (0.47) CRHR1ACHEKDM4EPOLBLMNA
SCHEMBL5599574 0.91 CRHR1 (0.39) CRHR1ACHEKDM4EPOLBLMNA
SCHEMBL6053053 0.90 CRHR1 (0.39) CRHR1ACHEKDM4EPOLBLMNA
SCHEMBL6303472 0.82 CRHR1 (0.46) CRHR1KDM4EALDH1A1CYP3A4HPGD
SCHEMBL5599818 0.80 CRHR1 (0.50) CRHR1
SCHEMBL6645857 0.80 ACHE (0.36) CRHR1ACHEKDM4EPOLBLMNA
SCHEMBL6053103 0.79 CRHR1 (0.53) CRHR1
SCHEMBL7436165 0.75 CRHR1 (0.53) CRHR1
SCHEMBL6053051 0.74 CRHR1 (0.38) CRHR1KDM4EALDH1A1CYP3A4HPGD
SCHEMBL6053144 0.73 CRHR1 (0.45) CRHR1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209250-A1 Therapeutic combinations of atypical antipsychotics with corticotropin releasing factor antagonists PFIZER INC 2005-09-22 — — US claimed
US-20040082597-A1 Use of CRF antagonists and related compositions PFIZER INC 2004-04-29 — — US claimed
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions HAMANAKA ERNEST S (US) 2003-10-23 — — US claimed
US-6432989-B1 TREATING SLEEP DISORDERS PFIZER INC 2002-08-13 — — US claimed
US-20010041673-A1 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues PFIZER INC. 2001-11-15 — — US claimed
EP-1097709-A2 Use of corticotropin releasing factor antagonists for treating syndrome X Pfizer Products Inc. (US) 2001-05-09 — — EP claimed
EP-1082960-A2 Use of CRF antagonists and related compositions for treating depression and modifying the circadian rhytm Pfizer Products Inc. (US) 2001-03-14 — — EP claimed
EP-1718311-A1 THERAPEUTIC COMBINATIONS OF ATYPICAL ANTIPSYCHOTICS WITH CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-11-08 — — EP disclosed
US-20050209250-A1 Therapeutic combinations of atypical antipsychotics with corticotropin releasing factor antagonists PFIZER INC 2005-09-22 — — US disclosed
WO-2005079807-A1 THERAPEUTIC COMBINATIONS OF ATYPICAL ANTIPSYCHOTICS WITH CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-09-01 — — WO disclosed
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists PFIZER INC 2005-08-04 — — US disclosed
US-6875769-B2 Substituted6,6-hetero-bicyclicderivatives PFIZER INC. (US) 2005-04-05 — — US disclosed
EP-1449532-A1 Compound [2-(4-chloro-2,6-dimethyl-phenoxy)- 3,6-dimethyl-pyridin-4-yl]- (1-ethyl-propyl)- amine and use as CRF antagonist Pfizer Products Inc. (US) 2004-08-25 — — EP disclosed
US-6432989-B1 TREATING SLEEP DISORDERS PFIZER INC 2002-08-13 — — US disclosed
US-20010041673-A1 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues PFIZER INC. 2001-11-15 — — US disclosed
EP-1149583-A2 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues Pfizer Products Inc. (US) 2001-10-31 — — EP disclosed
EP-1097709-A2 Use of corticotropin releasing factor antagonists for treating syndrome X Pfizer Products Inc. (US) 2001-05-09 — — EP disclosed
EP-1082960-A2 Use of CRF antagonists and related compositions for treating depression and modifying the circadian rhytm Pfizer Products Inc. (US) 2001-03-14 — — EP disclosed
EP-0925298-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-30 — — EP disclosed
WO-1998008846-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 — — 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 (5 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-20050209250-A1 Therapeutic combinations of atypical antipsychotics with corticotropin releasing factor antagonists CRH, MC2R, CRHR2 CRHR1 5/4885ACHE 1951/4885KDM4E 4598/4885
US-20010041673-A1 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues CRH, GHSR, GHRHR CRHR1 4/4885ACHE 3924/4885KDM4E 4196/4885
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists HTR2B, HTR1B, HTR3B CRHR1 16/4885ACHE 1195/4885KDM4E 3228/4885
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions CRH, CRHR1, CRHR2 CRHR1 2/4885ACHE 3921/4885KDM4E 4344/4885
US-20040082597-A1 Use of CRF antagonists and related compositions CRH, CRHR1, CRHR2 CRHR1 2/4885ACHE 2413/4885KDM4E 2811/4885

“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.