SCHEMBL4701299

SCHEMBL4701299

S=C=NC1c2ccccc2CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.42
HTR2A P28223 1/20 0.42
ACP3 P15309 1/20 0.40
HTR6 P50406 1/20 0.38
IDO1 P14902 3/20 0.36
PDPK1 O15530 1/20 0.36
PRCP P42785 2/20 0.35
CYP11B2 P19099 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6388120 0.86 CHRNB2 (0.39) RETHTR2AACP3IDO1CYP11B2
SCHEMBL6385748 0.86 ALOX12 (0.42) RETHTR2APRCPGAA
SCHEMBL6385756 0.84 CYP2D6 (0.40) RETHTR2AACP3CYP11B2
SCHEMBL4703520 0.80 ACP3 (0.44) RETHTR2AACP3HTR6IDO1
SCHEMBL6388137 0.78 ALDH1A1 (0.47) HTR2AHTR6GAA
SCHEMBL30578367 0.77 IDO1 (0.42) HTR6IDO1PDPK1CYP11B2
SCHEMBL1922245 0.77 IDO1 (0.42) HTR6IDO1PDPK1CYP11B2
SCHEMBL2541173 0.77 IDO1 (0.42) HTR6IDO1PDPK1CYP11B2
SCHEMBL4698772 0.77 GPR3 (0.37) HTR2A
SCHEMBL3541909 0.74 IDO1 (0.45) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010627-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME PEPTIDREAM INC. (JP) 2024-01-11 US disclosed
US-20240010627-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME PEPTIDREAM INC. (JP) 2024-01-11 US disclosed
WO-2022149610-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME ペプチドリーム株式会社 2022-07-14 WO disclosed
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US disclosed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 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 (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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 RET 1869/4885HTR2A 282/4885ACP3 3513/4885
US-20240010627-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME GMPS, MAPT, UROD RET 1037/4885HTR2A 2165/4885ACP3 1332/4885

“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.