SCHEMBL6811752

SCHEMBL6811752

Cc1cccc(-c2c[nH]c([C@@H](N)Cc3c[nH]c4ccccc34)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.54
PTPN1 P18031 2/20 0.51
HTR2A P28223 2/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2C P28335 1/20 0.49
HTR1E P28566 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 1/20 0.49
HTR2B P41595 1/20 0.49
HTR6 P50406 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6430387 0.88 SSTR1 (0.63) SSTR1HTR2AADRB1HTR1AADRA2A
SCHEMBL1928394 0.88 SSTR1 (0.63) SSTR1HTR2AADRB1HTR1AADRA2A
SCHEMBL4244351 0.88 SSTR1 (0.63) SSTR1HTR2AADRB1HTR1AADRA2A
Hydrochloric Acid SCHEMBL27472186 0.87 SSTR1 (0.62) SSTR1HTR2AADRB1HTR1AADRA2A
Hydrochloric Acid SCHEMBL6723717 0.87 SSTR1 (0.62) SSTR1HTR2AADRB1HTR1AADRA2A
Hexane SCHEMBL27589497 0.84 SSTR1 (0.56) SSTR1HTR2AADRB1HTR1AADRA2A
Hydrochloric Acid SCHEMBL1723213 0.82 SSTR1 (0.53) SSTR1HTR2AADRB1HTR1AADRA2A
SCHEMBL13244865 0.82 SSTR1 (0.53) SSTR1HTR2AADRB1HTR1AADRA2A
SCHEMBL3012885 0.82 SSTR1 (0.53) SSTR1HTR2AADRB1HTR1AADRA2A
Hydrochloric Acid SCHEMBL27542605 0.82 SSTR1 (0.53) SSTR1HTR2AADRB1HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 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-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 SSTR1 1927/4885PTPN1 2447/4885HTR2A 665/4885

“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.