SCHEMBL10644129

SCHEMBL10644129

CCCCCC1(N)CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.51
EBP Q15125 1/20 0.50
KDM1A O60341 5/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL30192046 0.98 SIGMAR1 (0.53) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL6923877 0.91 SIGMAR1 (0.49) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL30411876 0.89 SIGMAR1 (0.51) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL6929005 0.86 KDM1A (0.51) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL27632864 0.86 SIGMAR1 (0.49) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL4019674 0.82 KDM1A (0.56) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL30460648 0.82 KDM1A (0.56) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL28549243 0.80 SIGMAR1 (0.56) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL11198839 0.80 SIGMAR1 (0.56) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL28543963 0.80 SIGMAR1 (0.56) SIGMAR1EBPKDM1AMEN1KMT2A

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-10266481-B2 Organocatalytic asymmetric synthesis of antidepressants COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-04-23 US disclosed
US-20170158607-A1 ORGANOCATALYTIC ASYMMETRIC SYNTHESIS OF ANTIDEPRESSANTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-06-08 US disclosed
WO-2015193921-A1 AN ORGANOCATALYTIC ASYMMETRIC SYNTHESIS OF ANTIDEPRESSANTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-12-23 WO disclosed
EP-0272534-A2 8-substituted 2-aminotetralins BAYER AG (DE) 1988-06-29 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 (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-10266481-B2 Organocatalytic asymmetric synthesis of antidepressants TPH1, NAT1, TPH2 SIGMAR1 22/4885EBP 3635/4885KDM1A 528/4885
US-20170158607-A1 ORGANOCATALYTIC ASYMMETRIC SYNTHESIS OF ANTIDEPRESSANTS TPH1, NAT1, TPH2 SIGMAR1 22/4885EBP 3635/4885KDM1A 528/4885

“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.