SCHEMBL16257828

SCHEMBL16257828

C[C@@H]1CCCc2cc(I)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.43
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
PNMT P11086 1/20 0.34
ADRA2C P18825 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HTR6 P50406 2/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
GID4 Q8IVV7 1/20 0.32

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
SCHEMBL24167160 1.00 SRD5A1 (0.43) SRD5A1HTR2CHTR2AHTR2BCA1
SCHEMBL23592008 0.89 SRD5A1 (0.49) SRD5A1HTR2CHTR2AHTR2BCA1
SCHEMBL6902991 0.79 SRD5A1 (0.42) SRD5A1HTR2CHTR2AHTR2BESR1
SCHEMBL18468830 0.78 HTR2C (0.58) SRD5A1HTR2CHTR2AHTR2BADRA2A
SCHEMBL15825116 0.78 BRD4 (0.38) HTR2CHTR2AHTR2BCA1CA2
SCHEMBL18053015 0.78 HTR2A (0.44) SRD5A1HTR2CHTR2AHTR6
SCHEMBL19303255 0.78 CYP1B1 (0.40) HTR2CHTR2AHTR2BESR1ESR2
SCHEMBL23315623 0.78 HTR2C (0.36) HTR2CHTR2AHTR2BESR1ESR2
SCHEMBL19273851 0.78 HTR2A (0.44) SRD5A1HTR2CHTR2AHTR6
SCHEMBL12070963 0.78 PGR (0.45) SRD5A1ADRA2AADRA2BPNMTADRA2C

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
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2021-09-16 US disclosed
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2020-04-16 US disclosed
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2017-08-31 US disclosed
US-9670151-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2017-06-06 US disclosed
US-8889906-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2014-11-18 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 (3 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-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 SRD5A1 2094/4885HTR2C 1874/4885HTR2A 1692/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 SRD5A1 2094/4885HTR2C 1874/4885HTR2A 1692/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 SRD5A1 2094/4885HTR2C 1874/4885HTR2A 1692/4885

“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.