SCHEMBL17735537

SCHEMBL17735537

C[C@]12CCC(N)C(N)[C@@H]1CC[C@H]1[C@@H]3CCCC3CC[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.35
GABRD O14764 4/20 0.35
GABRA1 P14867 4/20 0.35
GABRB1 P18505 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
GABRA4 P48169 4/20 0.35
GABRE P78334 4/20 0.35
GABRA6 Q16445 4/20 0.35
GABRG1 Q8N1C3 4/20 0.35
GABRG3 Q99928 4/20 0.35
GABRQ Q9UN88 4/20 0.35
SHBG P04278 1/20 0.35
CYP19A1 P11511 2/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL4834980 0.76 GABRD (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14883711 0.74 CDK5 (0.59) CYP19A1CDK5CDK5R1KMT2AESR1
SCHEMBL2992719 0.73 CYP19A1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12178067 0.70 SHBG (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16189884 0.70 SHBG (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23569462 0.70 GABRA1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4833944 0.70 GABRD (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15164711 0.70 SHBG (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12178022 0.70 SHBG (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19114020 0.70 LMNA (0.62) GABRPGABRDGABRA1GABRB1GABRG2

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-20160129017-A1 SHIP INHIBITION TO COMBAT OBESITY The Research Foundation for the State University New York (US) 2016-05-12 US disclosed
US-20160129017-A1 SHIP INHIBITION TO COMBAT OBESITY The Research Foundation for the State University New York (US) 2016-05-12 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-20160129017-A1 SHIP INHIBITION TO COMBAT OBESITY PPM1G, PPM1B, PPM1F GABRP 3019/4885GABRD 3705/4885GABRA1 3830/4885

“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.