SCHEMBL4488178

SCHEMBL4488178

O[C@H]1CCCC[C@@H]1N1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 11/20 0.74
CYP2D6 P10635 2/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
ALDH1A1 P00352 1/20 0.53
APEX1 P27695 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL12233680 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL8989794 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL908579 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL29075879 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL17286254 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL14367947 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL25305403 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL4488180 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL11346322 0.97 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL6597975 0.97 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
US-20090005576-A1 Production Method of Optically Active Cyclohexane Ether Compounds ASTELLAS PHARMA INC. (JP) 2009-01-01 US disclosed
US-20090005576-A1 Production Method of Optically Active Cyclohexane Ether Compounds ASTELLAS PHARMA INC. (JP) 2009-01-01 US disclosed
US-6884893-B1 Method for selectively dissociating cyclic carboxylic acid anhydrides MERCK PATENT GMBH (DE) 2005-04-26 US disclosed
EP-0905132-B1 Benzothiophenes LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6060488-A ANTICARCINOGENIC AGENTS; POSTMENOPAUSAL CANCER OF BREASTS, UTERUS, CERVIX ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
WO-1999015521-A1 BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1999-04-01 WO disclosed
EP-0905132-A1 Benzothiophenes ELI LILLY AND COMPANY (US) 1999-03-31 EP disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 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 (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-20090005576-A1 Production Method of Optically Active Cyclohexane Ether Compounds DHPS, CYP8B1, CYP51A1 SLC18A3 3557/4885CYP2D6 43/4885TSHR 2487/4885

“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.