Sugi Predict

Sugi Predict / Compounds / SCHEMBL561009

SCHEMBL561009

SCHEMBL561009

NCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 11/20 0.82
▸ LMNA P02545 6/20 0.82
▸ MAPT P10636 6/20 0.82
▸ SMN1; SMN2 Q16637 5/20 0.82
▸ CYP3A4 P08684 4/20 0.82
▸ MAPK1 P28482 4/20 0.82
▸ TP53 P04637 3/20 0.82
▸ RAD52 P43351 3/20 0.82
▸ ALDH1A1 P00352 2/20 0.82
▸ CYP1A2 P05177 2/20 0.82
▸ ABCB1 P08183 2/20 0.82
▸ HTR1A P08908 2/20 0.82
▸ ADRA2A P08913 2/20 0.82
▸ ADORA3 P0DMS8 2/20 0.82
▸ CYP2D6 P10635 2/20 0.82
▸ CHRM1 P11229 2/20 0.82
▸ DRD2 P14416 2/20 0.82
▸ ADRA2B P18089 2/20 0.82
▸ ADRA2C P18825 2/20 0.82
▸ NFKB1 P19838 2/20 0.82

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
SCHEMBL10168752 0.96 FPR2 (0.82) FPR2LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL23353449 0.91 FPR2 (0.95) FPR2LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL10168751 0.91 KIF11 (0.80) FPR2LMNAMAPTSMN1; SMN2CYP3A4
Trifluoperazine SCHEMBL24866 0.90 FPR2 (1.00) FPR2LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL23353455 0.90 FPR2 (0.93) FPR2LMNAMAPTSMN1; SMN2CYP3A4
Trifluoperazine SCHEMBL1897003 0.90 FPR2 (1.00) FPR2LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL23353452 0.90 FPR2 (0.98) FPR2LMNAMAPTSMN1; SMN2CYP3A4
Trifluoperazine SCHEMBL29603012 0.90 FPR2 (1.00) FPR2LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL23353454 0.89 FPR2 (0.85) FPR2LMNAMAPTSMN1; SMN2CYP3A4
Trifluoperazine SCHEMBL341516 0.89 LMNA (1.00) FPR2LMNAMAPTSMN1; SMN2CYP3A4

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-20120035161-A1 Novel Compositions and Methods of Treating Diseases Using the Same CORRIDOR PHARMACEUTICALS, INC. 2012-02-09 — — US disclosed
US-7923445-B2 10-{3-[4-(2-Amino)ethylpiperazinyl]propyl}2-trifluoromethylphenothiazine and analogues and derivatives; antiproliferative agents; serotonin receptor antagonists; apoptosis in activated lymphocytes, including T, B, and and mylenoma cells; asthma; antiarthritic agents; rheumatic diseeases IMMUNE CONTROL, INC. (US) 2011-04-12 — — US disclosed
US-20080125415-A1 Novel methods for treatment of diseases related to activated lymphocytes IMMUNE CONTROL, INC. (US) 2008-05-29 — — 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 (2 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-20120035161-A1 Novel Compositions and Methods of Treating Diseases Using the Same NFATC1, BAX, BCL2 FPR2 153/4885LMNA 301/4885MAPT 3914/4885
US-20080125415-A1 Novel methods for treatment of diseases related to activated lymphocytes HTR5A, TPH1, TPH2 FPR2 47/4885LMNA 1482/4885MAPT 2819/4885

“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.