Rauwolscine

Rauwolscine

SCHEMBL7945869

COC(=O)[C@H]1C2CC3c4[nH]c5ccccc5c4CCN3CC2CC[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 9/20 1.00
▸ ADRA1A P35348 8/20 1.00
▸ CYP2D6 P10635 7/20 1.00
▸ ADRA2C P18825 6/20 1.00
▸ ADRA2B P18089 5/20 1.00
▸ ADRA1B P35368 4/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ CYP3A4 P08684 3/20 1.00
▸ ADRA1D P25100 3/20 1.00
▸ PMP22 Q01453 3/20 1.00
▸ HSD17B10 Q99714 3/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ LMNA P02545 2/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ TSHR P16473 2/20 1.00
▸ HTR1A P08908 2/20 1.00
▸ THRB P10828 2/20 1.00
▸ HPGD P15428 2/20 1.00
▸ HTR1B P28222 2/20 1.00

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
Rauwolscine SCHEMBL12648480 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL4548294 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL8366111 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL25366080 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL6700479 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL23244673 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL564021 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL18541713 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL22703462 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL244514 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B

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-20150190411-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-09 — — US disclosed
US-20150190411-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-09 — — US disclosed
US-20100075926-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-25 — — US disclosed
US-20100075926-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-25 — — US disclosed
WO-2010011318-A2 ACTIVATIQN OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-01-28 — — WO 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-20100075926-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL GRIK5, HDAC11, GRIK1 ADRA2A 4399/4885ADRA1A 3908/4885CYP2D6 3938/4885
US-20150190411-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL GRIK5, HDAC11, GRIK1 ADRA2A 4397/4885ADRA1A 3908/4885CYP2D6 3951/4885

“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.

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