SCHEMBL20061148

SCHEMBL20061148

CC(Cc1ccccc1)N[C@@H]1CCCC[C@H]1NC(C)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.56
TAAR1 Q96RJ0 3/20 0.53
SLC18A2 Q05940 1/20 0.53
SLC6A4 P31645 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CNR1 P21554 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
MC4R P32245 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SCN1A P35498 1/20 0.47

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
SCHEMBL20061130 1.00 SIGMAR1 (0.56) SIGMAR1TAAR1SLC18A2SLC6A4ADRB2
SCHEMBL11749423 0.77 SIGMAR1 (0.42) SIGMAR1TAAR1SLC18A2HTR1AADRA1A
SCHEMBL27740328 0.76 SLC6A4 (0.54) SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2
SCHEMBL27010643 0.76 KDM1A (0.47) CYP3A4
SCHEMBL20063373 0.76 KDM1A (0.47) CYP3A4
SCHEMBL33991 0.74 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL3681409 0.74 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL28281562 0.74 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL4883252 0.73 SLC6A4 (0.51) SIGMAR1TAAR1SLC18A2SLC6A4CYP2D6
SCHEMBL28219352 0.73 SIGMAR1 (0.50) SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 US disclosed
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 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-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND TPSD1, QDPR, TALDO1 SIGMAR1 642/4885TAAR1 1110/4885SLC18A2 1556/4885

“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.