Sugi Predict

Sugi Predict / Compounds / SCHEMBL615559

SCHEMBL615559

SCHEMBL615559

CC(=O)NCCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccc(Cl)cc21.NCCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TSHR P16473 1/20 0.44
▸ AVPR1A P37288 5/20 0.44
▸ USP2 O75604 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3R1 P27986 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CNR1 P21554 1/20 0.42

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
SCHEMBL613390 0.97 SMN1; SMN2 (0.47) SMN1; SMN2TSHRAVPR1AUSP2CYP1A2
SCHEMBL615567 0.91 SMN1; SMN2 (0.53) SMN1; SMN2TSHRAVPR1AUSP2CYP1A2
SCHEMBL615036 0.89 TP53 (0.45) SMN1; SMN2TSHRAVPR1AUSP2PIK3CD
SCHEMBL4760934 0.88 USP2 (0.50) SMN1; SMN2TSHRAVPR1AUSP2CYP1A2
SCHEMBL613549 0.85 TP53 (0.47) SMN1; SMN2TSHRAVPR1AUSP2PIK3CD
SCHEMBL613033 0.84 AVPR1A (0.51) SMN1; SMN2TSHRAVPR1AUSP2CYP1A2
SCHEMBL614430 0.83 AVPR1A (0.60) SMN1; SMN2TSHRAVPR1AUSP2NPSR1
SCHEMBL615151 0.82 AVPR1A (0.53) SMN1; SMN2TSHRAVPR1AUSP2NPSR1
SCHEMBL612523 0.82 SMN1; SMN2 (0.52) SMN1; SMN2TSHRAVPR1AUSP2CYP1A2
SCHEMBL613508 0.81 TACR3 (0.52) SMN1; SMN2TSHRCYP1A2CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 — — US disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 — — US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 — — US disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 — — 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 (3 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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR SMN1; SMN2 4271/4885TSHR 139/4885AVPR1A 1/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR SMN1; SMN2 4271/4885TSHR 139/4885AVPR1A 1/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR SMN1; SMN2 4271/4885TSHR 139/4885AVPR1A 1/4885

“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.