SCHEMBL4887652

SCHEMBL4887652

C[C@H]1CNCCN1c1ccc(F)c(-c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.43
RAD52 P43351 1/20 0.41
CYP11B2 P19099 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
RPS6KA3 P51812 1/20 0.40
GABRA2 P47869 1/20 0.40
GSK3B P49841 2/20 0.39
CYP11B1 P15538 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HPGDS O60760 1/20 0.38
ADAMTS5 Q9UNA0 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38

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
SCHEMBL4881181 1.00 LATS1 (0.43) LATS1RAD52CYP11B2GABRA1GABRG2
SCHEMBL4881167 1.00 LATS1 (0.43) LATS1RAD52CYP11B2GABRA1GABRG2
SCHEMBL4890361 0.86 RAD52 (0.43) RAD52
SCHEMBL4885161 0.86 RAD52 (0.43) RAD52
SCHEMBL4885558 0.86 RAD52 (0.43) RAD52
SCHEMBL17884666 0.81 ADAMTS5 (0.50) RAD52ADAMTS5
SCHEMBL4889665 0.81 GRM5 (0.43) LATS1GSK3BCYP11B1PIM1PIM3
SCHEMBL4881021 0.81 GRM5 (0.43) LATS1GSK3BCYP11B1PIM1PIM3
SCHEMBL4880089 0.81 GRM5 (0.43) LATS1GSK3BCYP11B1PIM1PIM3
SCHEMBL4915273 0.80 RPS6KA3 (0.54) RPS6KA3PIM1PIM3PIM2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255137-A1 N-Biaryl and N-Arylheteroaryl 2-Substituted Piperazine Derivatives as Modulators of the 5ht2c Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
CN-101084206-A N-biaryl and n-arylheteroaryl 2-substituted piperazine derivatives as modulators of the 5ht2c receptor useful for the treatment of disorders related thereto ARENA PHARM INC (US) 2007-12-05 CN disclosed
WO-2006065706-A9 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-07-26 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-20080255137-A1 N-Biaryl and N-Arylheteroaryl 2-Substituted Piperazine Derivatives as Modulators of the 5ht2c Receptor Useful for the Treatment of Disorders Related Thereto HTR2C, HTR2A, HTR5A LATS1 4296/4885RAD52 2423/4885CYP11B2 36/4885

“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.