SCHEMBL1968506

SCHEMBL1968506

c1ccc(N2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
MBTD1 Q05BQ5 1/20 0.59
L3MBTL3 Q96JM7 1/20 0.59
LMNA P02545 4/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
ADRB1 P08588 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALOX15 P16050 3/20 0.57
HSD17B10 Q99714 3/20 0.57
NPC1 O15118 3/20 0.57
TP53 P04637 3/20 0.57
RAB9A P51151 3/20 0.57
TSHR P16473 2/20 0.57

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
SCHEMBL8542780 1.00 L3MBTL1 (0.59) L3MBTL1MBTD1L3MBTL3LMNAHTR3E
SCHEMBL2312380 1.00 L3MBTL1 (0.59) L3MBTL1MBTD1L3MBTL3LMNAHTR3E
SCHEMBL93630 1.00 L3MBTL1 (0.59) L3MBTL1MBTD1L3MBTL3LMNAHTR3E
Benzene SCHEMBL28818227 1.00 L3MBTL1 (0.59) L3MBTL1MBTD1L3MBTL3LMNAHTR3E
Hydrochloric Acid SCHEMBL9291151 0.97 ALDH1A1 (0.60) L3MBTL1MBTD1L3MBTL3LMNAHTR3E
Water SCHEMBL10922019 0.97 L3MBTL1 (0.57) L3MBTL1MBTD1L3MBTL3LMNAHTR3E
Hydrochloric Acid SCHEMBL5417163 0.97 ALDH1A1 (0.60) L3MBTL1MBTD1L3MBTL3LMNAHTR3E
Bromide SCHEMBL28856450 0.97 L3MBTL1 (0.57) L3MBTL1MBTD1L3MBTL3LMNAHTR3E
SCHEMBL18228234 0.97 L3MBTL1 (0.61) L3MBTL1MBTD1L3MBTL3LMNAHTR3E
SCHEMBL12485 0.97 L3MBTL1 (0.61) L3MBTL1MBTD1L3MBTL3LMNAHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434341-A1 Diazine derivatives ZENECA LIMITED (GB) 1991-06-26 EP claimed
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-2334683-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 EP disclosed
WO-2010023480-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-04 WO disclosed
WO-2006105056-A2 INSECTICIDAL 2,4-DIAMINOQUINAZOLINES AND RELATED DERIVATIVES FMC CORPORATION (US) 2006-10-05 WO disclosed
EP-0434341-B1 Diazine derivatives ZENECA LTD (GB) 1995-05-17 EP disclosed
US-5252567-A Cardiovascular disorders, sino-atrial node effects IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US disclosed
EP-0262810-B1 SHEET RECORDING MATERIAL CONTAINING DYE-FORMING COMPONENTS Fuji Photo Film Co., Ltd. (JP) 1992-12-09 EP disclosed
EP-0434341-A1 Diazine derivatives ZENECA LIMITED (GB) 1991-06-26 EP disclosed
US-4808566-A COLORLESS DYE IS DIMER OF 3-(4-SUBSTITUTED AMINOARYL)-3-(SUBSTITUTED INDOL-3-YL) PHTHALIDE FUJI PHOTO FILM CO., LTD. (JP) 1989-02-28 US disclosed
EP-0262810-A2 Sheet recording material containing dye-forming components Fuji Photo Film Co., Ltd. (JP) 1988-04-06 EP disclosed
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 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 (1 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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 L3MBTL1 2984/4885MBTD1 243/4885L3MBTL3 3779/4885

“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.