SCHEMBL357767

SCHEMBL357767

c1ccc2c(c1)OCCN2C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.51
HTR2B P41595 5/20 0.51
HTR2A P28223 3/20 0.51
ADRB1 P08588 1/20 0.44
NOTUM Q6P988 1/20 0.42
PDK1 Q15118 1/20 0.41
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
AGTR2 P50052 1/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
NUDT1 P36639 1/20 0.36
LMNA P02545 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL30896844 0.90 HTR2C (0.48) HTR2CHTR2BHTR2AADRB1NOTUM
SCHEMBL1555160 0.89 NOTUM (0.47) NOTUMPDK1ITGB2ICAM1ITGAL
SCHEMBL3118380 0.83 NOTUM (0.43) NOTUMPDK1ITGB2ICAM1ITGAL
SCHEMBL27267402 0.81 NOTUM (0.45) NOTUMPDK1ITGB2ICAM1ITGAL
SCHEMBL693081 0.79 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL2018190 0.79 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL692326 0.79 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL30962052 0.78 NOTUM (0.42) NOTUMPDK1ITGB2ICAM1ITGAL
SCHEMBL1136451 0.77 HTR6 (0.57) HTR2CHTR2BTSHR
SCHEMBL1136530 0.77 HTR6 (0.54) HTR2CHTR2BTSHR

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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 HTR2C 836/4885HTR2B 336/4885HTR2A 624/4885

“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.