SCHEMBL4069218

SCHEMBL4069218

Fc1ccccc1N1C[CH]CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 2/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NOTUM Q6P988 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4072195 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TSHRKDM4EPOLB
SCHEMBL8902666 0.86 DRD2 (0.38) SMN1; SMN2ALDH1A1TSHRKDM4EPOLB
SCHEMBL23161511 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TSHRKDM4EPOLB
SCHEMBL3042980 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TSHRKDM4EPOLB
SCHEMBL4068610 0.79 ADRB1 (0.48) ALDH1A1TSHRKDM4EPOLBHSD17B10
SCHEMBL30851436 0.78 KEAP1 (0.57) SMN1; SMN2ALDH1A1TSHRKDM4EPOLB
SCHEMBL6005480 0.78 KEAP1 (0.57) SMN1; SMN2ALDH1A1TSHRKDM4EPOLB
SCHEMBL1239113 0.78 KEAP1 (0.57) SMN1; SMN2ALDH1A1TSHRKDM4EPOLB
SCHEMBL4072207 0.78 ADRB1 (0.50) SMN1; SMN2ALDH1A1TSHRPOLBALOX15
SCHEMBL4069223 0.77 AKR1C3 (0.43) ALDH1A1KDM4EDRD4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP 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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 SMN1; SMN2 350/4885ALDH1A1 1250/4885TSHR 308/4885

“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.