SCHEMBL3919987

SCHEMBL3919987

N#Cc1ccc(C(F)(F)F)cc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.51
NCF1 P14598 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HTR3A P46098 2/20 0.50
HTR1D P28221 2/20 0.50
HTR2C P28335 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ADRB1 P08588 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
HTR1A P08908 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
HTR6 P50406 1/20 0.43

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
SCHEMBL3920701 0.90 ADRB2 (0.52) ADRB2NCF1ALDH1A1HTR3AHTR1D
SCHEMBL2480183 0.86 SMN1; SMN2 (0.50) ALDH1A1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL2527437 0.85 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2TSHRROCK2
SCHEMBL2531352 0.85 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2TSHRROCK2
SCHEMBL2532291 0.85 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2TSHRROCK2
SCHEMBL2527092 0.82 SMN1; SMN2 (0.50) ALDH1A1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL2533103 0.82 SMN1; SMN2 (0.66) ALDH1A1MAPTTHRBSMN1; SMN2TSHR
SCHEMBL8182535 0.80 ALDH1A1 (0.56) ALDH1A1HTR3AHTR1DHTR2CHTR1A
SCHEMBL2526160 0.80 AR (0.51) ALDH1A1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL2528771 0.80 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling CONFO THERAPEUTICS N.V. (BE) 2024-11-07 US disclosed
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN disclosed
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1663232-B1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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 (4 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R ADRB2 91/4885NCF1 1990/4885ALDH1A1 1055/4885
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling AGTR2, AGTR1, OPRL1 ADRB2 28/4885NCF1 2413/4885ALDH1A1 2919/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT ADRB2 75/4885NCF1 1387/4885ALDH1A1 582/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT ADRB2 75/4885NCF1 1387/4885ALDH1A1 582/4885

“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.