Sugi Predict

Sugi Predict / Compounds / SCHEMBL6356905

SCHEMBL6356905

SCHEMBL6356905

CCOC(=O)N1CC2CCN(Cc3ccccc3)C2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ CHRM1 P11229 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTR1A P08908 1/20 0.44

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
SCHEMBL18488356 0.87 HTR1A (0.43) ALDH1A1MEN1KMT2AL3MBTL1HTR1A
SCHEMBL3068861 0.86 JAK2 (0.55) BRD4HTR1A
SCHEMBL24105172 0.86 JAK2 (0.55) BRD4HTR1A
SCHEMBL9201481 0.85 ALDH1A1 (0.50) ALDH1A1CHRM1MEN1KMT2ACHRM5
SCHEMBL9474570 0.84 TEAD1 (0.48) HTR1A
SCHEMBL9042581 0.82 ALDH1A1 (0.43) ALDH1A1CHRM1MEN1KMT2AL3MBTL1
SCHEMBL478005 0.82 TEAD1 (0.42) ALDH1A1CHRM1MEN1KMT2ACHRM5
SCHEMBL2408750 0.81 SMN1; SMN2 (0.52) CHRM1MEN1KMT2ACHRM5GAA
SCHEMBL2408749 0.81 SMN1; SMN2 (0.52) CHRM1MEN1KMT2ACHRM5GAA
SCHEMBL9343898 0.80 CHRM1 (0.51) ALDH1A1CHRM1MEN1KMT2ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 — — EP disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 — — EP disclosed
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes INDIVIOR UK LIMITED (GB) 2020-03-10 — — US disclosed
US-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR INC. 2019-06-27 — — US disclosed
US-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR INC. 2019-06-27 — — US disclosed
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators INDIVIOR UK LIMITED (GB) 2019-04-30 — — US disclosed
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators INDIVIOR UK LIMITED (GB) 2019-04-30 — — US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 — — US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 — — US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 — — US disclosed
US-20050234090-A1 Modulators of chemokine receptor activity PFIZER INC 2005-10-20 — — US disclosed
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 — — US disclosed
EP-1368354-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Pfizer Products Inc. (US) 2003-12-10 — — EP disclosed
US-20030008893-A1 Modulators of chemokine receptor activity COLON-CRUZ ROBERTO (US) 2003-01-09 — — US disclosed
WO-2002070523-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY PFIZER PRODUCTS INC. (US) 2002-09-12 — — WO disclosed
US-5284855-A Broad-spectrum antibiotics; gramnegative and -positive bacteria, esp. Enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 — — US disclosed
US-5241076-A 1,4-diazatricyclo [6.3.0.0]undecanes BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 — — US disclosed
US-5202337-A Antibacterial agent, feed additive BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 — — US disclosed
US-5177210-A Preparation of 2,7-diazabicyclo(3.3.0)octanes BAYER AKTIENGESELLSCHAFT (DE) 1993-01-05 — — US disclosed
US-5071999-A Preparation of 2,7-diazabicyclo[3.3.0]octanes BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 — — 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 (6 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-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 ALDH1A1 307/4885CHRM1 276/4885MEN1 4571/4885
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 ALDH1A1 292/4885CHRM1 274/4885MEN1 4633/4885
US-20030008893-A1 Modulators of chemokine receptor activity CCR1, CCR3, CCR2 ALDH1A1 1764/4885CHRM1 546/4885MEN1 4847/4885
US-20050234090-A1 Modulators of chemokine receptor activity CCR3, CCR2, CCR1 ALDH1A1 1982/4885CHRM1 672/4885MEN1 4857/4885
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators DRD3, DRD2, OPRD1 ALDH1A1 285/4885CHRM1 444/4885MEN1 4850/4885
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes DRD3, DRD2, SLC6A3 ALDH1A1 164/4885CHRM1 191/4885MEN1 3723/4885

“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.