SCHEMBL5005535

SCHEMBL5005535

C[C@H](NCc1cccc(N)c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
BCHE P06276 1/20 0.47
HTT P42858 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
SMPD1 P17405 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 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
SCHEMBL4055615 0.88 SMN1; SMN2 (0.56) CASRSMN1; SMN2MEN1KMT2AMAOA
SCHEMBL3959603 0.83 CASR (0.75) CASRMEN1KMT2AHTTHTR1A
SCHEMBL79765 0.82 SMN1; SMN2 (0.76) CASRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL29560 0.82 SMN1; SMN2 (0.76) CASRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL774613 0.82 SMN1; SMN2 (0.76) CASRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL13077588 0.82 CASR (0.64) CASRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL8202163 0.82 SMN1; SMN2 (0.66) CASRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL2893627 0.81 SMN1; SMN2 (0.60) CASRSMN1; SMN2MEN1KMT2AMAOA
SCHEMBL9153343 0.81 MAOA (0.47) MAOAMAOBCYP3A4CYP2D6
SCHEMBL11877401 0.81 CASR (0.73) CASRSMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US claimed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US claimed
US-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US disclosed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 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-20080221101-A1 Calcium receptor modulating agents CASR, RYR1, RYR2 CASR 1/4885SMN1; SMN2 2433/4885MEN1 2531/4885

“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.